Shanghai Ennopharm Co., Ltd.

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Catalogue Products

ID	Product Name	CAS NO
EN000017	2-propylbenzene-1,3-diol	13331-19-6
EN000025	3-methoxy-4-nitrophenol	16292-95-8
EN000041	1-bromo-4-(difluoromethoxy)Benzene	5905-69-1
EN000055	methyl 3-cyano-4-hydroxybenzoate	156001-68-2
EN000058	4-(Difluoromethoxy)phenylboronic acid pinacol ester	887757-48-4
EN000063	4-ethoxy-5-isopropyl-2-methylbenzaldehyde	872183-70-5
EN000083	1-(3-chlorophenyl)acetone	14123-60-5
EN000088	2-(4-fluorophenoxy)ethanamine	6096-89-5
EN000094	1-(5-bromo-2-fluorophenyl)ethanone	198477-89-3

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• TG-100-115

IUPAC Name: 3-[2,4-diamino-7-(3-hydroxyphenyl)pteridin-6-yl]phenol

Molecular Formula:	C₁₈H₁₄N₆O₂	Molecular Weight:	346.342760 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	8

InChIKey: UJIAQDJKSXQLIT-UHFFFAOYSA-N

• thiazol-2-ylmethanol

IUPAC Name: 1,3-thiazol-2-ylmethanol

Molecular Formula:	C₄H₅NOS	Molecular Weight:	115.153600 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: JNHDLNXNYPLBMJ-UHFFFAOYSA-N

• thiazol-4-ylboronic acid

IUPAC Name: 1,3-thiazol-4-ylboronic acid | CAS Registry Number: 1016642-07-1
Synonyms: EN000946

Molecular Formula:	C₃H₄BNO₂S	Molecular Weight:	128.945360 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: WSTDOIHBEOVTHX-UHFFFAOYSA-N

• thiazol-4-ylboronic acid pinacol ester

IUPAC Name: 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole | CAS Registry Number: 1083180-00-0
Synonyms: AmbcmbBE68, EN000947

Molecular Formula:	C₉H₁₄BNO₂S	Molecular Weight:	211.088960 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: IUHVEWBGPBCWTQ-UHFFFAOYSA-N

• Thiazole-4-carboxyaldehyde

IUPAC Name: 1,3-thiazole-4-carbaldehyde | CAS Registry Number: 3364-80-5
Synonyms: Thiazole-4-carboxaldehyde, 1,3-thiazole-4-carbaldehyde, ZINC02566818, ALBB-004689, CID2763214, T2159M500

Molecular Formula:	C₄H₃NOS	Molecular Weight:	113.137720 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: WRFKSVINLIQRKF-UHFFFAOYSA-N

• Thiazole-5-carboxyaldehyde

IUPAC Name: 1,3-thiazole-5-carbaldehyde | CAS Registry Number: 1003-32-3
Synonyms: Thiazole-5-carbaldehyde, 5-Thiazolecarboxaldehyde, 1,3-thiazole-5-carbaldehyde, 658103_ALDRICH, ZINC02577851, CID2773577, T2161M500

Molecular Formula:	C₄H₃NOS	Molecular Weight:	113.137720 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: ZXRLWHGLEJGMNO-UHFFFAOYSA-N

• Thiazole-5-carboxylic acid

IUPAC Name: 1,3-thiazole-5-carboxylic acid | CAS Registry Number: 14527-41-4
Synonyms: 1,3-thiazole-5-carboxylic acid, CID84494, EINECS 238-545-3, T2164M500, EC-000.1276

Molecular Formula:	C₄H₃NO₂S	Molecular Weight:	129.137120 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: YZVFSQQHQPPKNX-UHFFFAOYSA-N

• Thiazolo[5,4-c]pyridin-2-amine

IUPAC Name: [1,3]thiazolo[5,4-c]pyridin-2-amine | CAS Registry Number: 108310-79-8
Synonyms: Thiazolo[5,4-c]pyridin-2-ylamine, thiazolo[5,4-c]pyridin-2-amine, [1,3]thiazolo[5,4-c]pyridin-2-amine, ACMC-1C6ZK, AGN-PC-00O193, CTK0H2713, MolPort-009-197-835, ANW-49504, CL3446, AKOS015854294, PB34487, QC-4967, RP21506, AK-24144, BR-24144, KB-61606, WT-130555, FT-0648340, X8878, I09-1772

Molecular Formula:	C₆H₅N₃S	Molecular Weight:	151.189000 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: CUPNTGIGCVTGFR-UHFFFAOYSA-N

• Thieno[2,3-B]pyrazine-6-Carboxaldehyde

IUPAC Name: thieno[2,3-b]pyrazine-6-carbaldehyde | CAS Registry Number: 857283-69-3
Synonyms: thieno[2,3-b]pyrazine-6-carbaldehyde, SBB052353, Thieno[2,3-b]pyrazine-6-carboxaldehyde, ZINC05177606, AC1ONM6Z, CTK3E7719, MolPort-000-142-930, AKOS006221158, AG-C-19178, RP02365, thiopheno[2,3-b]pyrazine-6-carbaldehyde, AK136894, BP-10624, EN000592, KB-204748, BB 0262473, FT-0685512, Y4305, Thieno[2,3-b]pyrazine-6-carbaldehyde;Thieno[2,3-b]pyrazine-6-carboxaldehyde 97%;

Molecular Formula:	C₇H₄N₂OS	Molecular Weight:	164.184460 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	4

InChIKey: PDSFQJXYTQJKFG-UHFFFAOYSA-N

• Thieno[2,3-B]thiophene-2-Carboxylic Acid

IUPAC Name: thieno[2,3-b]thiophene-5-carboxylic acid | CAS Registry Number: 14756-75-3
Synonyms: thieno[2,3-b]thiophene-2-carboxylic acid, AG-D-92681, AC1MCANG, SureCN1761579, CTK0H3759, MolPort-000-146-312, SEW01633, ANW-47656, SBB090198, AKOS006229467, RP24469, 2-Thieno[2,3-b]thiophenecarboxylicacid;, Thieno[2,3-b]thiophene-2-carboxylicacid, AK-32044, BR-32044, EN002288, KB-61608, thieno[2,3-b]thiophene-5-carboxylic acid, thiopheno[2,3-b]thiophene-2-carboxylic acid, W3217

Molecular Formula:	C₇H₄O₂S₂	Molecular Weight:	184.235460 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: JXHSGSLIUHNKRC-UHFFFAOYSA-N

• thieno[2,3-c]pyridine-2-carboxylic acid

IUPAC Name: thieno[2,3-c]pyridine-2-carboxylic acid | CAS Registry Number: 478149-00-7
Synonyms: MolPort-004-804-994, EN002591

Molecular Formula:	C₈H₅NO₂S	Molecular Weight:	179.195800 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: GHYPQAOXZUEFNP-UHFFFAOYSA-N

• Thieno[2,3-d]pyrimidin-4(1H)-one

IUPAC Name: 3H-thieno[2,3-d]pyrimidin-4-one | CAS Registry Number: 14080-50-3
Synonyms: thieno[2,3-d]pyrimidin-4(3H)-one, thieno[2,3-d]pyrimidin-4-ol, thieno[2,3-d]pyrimidin-4(3h)one, 3H-thieno[2,3-d]pyrimidin-4-one, thieno[2,3-d]pyrimidin-4(1h)-one, 4-Hydroxythieno[2,3-d]pyrimidine, SBB056378, AG-D-81560, 3H-Thieno[2,3-d]pyrimidine-4-one, 3-hydrothiopheno[2,3-d]pyrimidin-4-one, ZINC04023433, PubChem18844, AC1MDB5Q, SureCN652836, SureCN1192489, SureCN2284623, KSC870G0B, CHEMBL2432028, Thieno[2,3-d]pyrimidin-4-one, CTK0H3761

Molecular Formula:	C₆H₄N₂OS	Molecular Weight:	152.173760 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: JEDVKUHCDPPWNR-UHFFFAOYSA-N

• Thieno[2,3-d]pyrimidin-4(3H)-one

IUPAC Name: 3H-thieno[2,3-d]pyrimidin-4-one

Molecular Formula:	C₆H₄N₂OS	Molecular Weight:	152.173760 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: JEDVKUHCDPPWNR-UHFFFAOYSA-N

• Thieno[2,3-d]pyrimidine, 5-bromo-4-chloro-

IUPAC Name: 5-bromo-4-chlorothieno[2,3-d]pyrimidine | CAS Registry Number: 814918-95-1
Synonyms: 5-bromo-4-chlorothieno[2,3-d]pyrimidine, AG-H-27139, PubChem18364, CTK5E8821, ANW-47089, AKOS015919567, PB34550, QC-2462, RP28869, AK-30971, BR-30971, EN000873, KB-42334, 5-Bromo-4-chlorothieno[2,3-d]pyrimidine;, 5-bromo-4-chlorothieno [2,3-d] pyrimidine, AM20100795, Thieno[2,3-d]pyrimidine,5-bromo-4-chloro-, W8585, C-8233, 5-bromanyl-4-chloranyl-thieno[2,3-d]pyrimidine

Molecular Formula:	C₆H₂BrClN₂S	Molecular Weight:	249.515480 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: IKCKRHCJPVDELP-UHFFFAOYSA-N

• Thieno[3,2-c]pyridin-2(4H)-one, 5,6,7,7a-tetrahydro-, hydrochloride

IUPAC Name: 5,6,7,7a-tetrahydro-4H-thieno[3,2-c]pyridin-2-one;hydrochloride | CAS Registry Number: 115473-15-9
Synonyms: 5,6,7,7a-tetrahydrothieno[3,2-C]pyridine-2(4H)-one Hydrochloride, 5,6,7,7a-tetrahydrothieno[3,2-c]pyridin-2(4H)-one hydrochloride, 5,6,7,7a-Tetrahydrothieno[3,2-c]pyridine-2(4H)-onehydrochloride, 5,6,7,7a-Tetrahydrothieno(3,2-c)pyridine-2(4H)-one HCl, 5,6,7,7a-tetrahydrothieno(3,2-c)pyridine-2(4h)-one hydrochloride, 5,6,7,7A-TETRAHYDROTHIENO[3,2-C]PYRIDINE-2(4H)-ONE HCL, zlchem 147, PubChem22143, SureCN24450, ACMC-1C7KU, athienocpyridinonehydrochloride, CTK0I3373, ZLB0136, ACT06209, ANW-50996, FC1326, SBB091353, AKOS005073562, AG-D-36522, MCULE-3124302392

Molecular Formula:	C₇H₁₀ClNOS	Molecular Weight:	191.678400 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: PUQKTVAKLPDUAW-UHFFFAOYSA-N

• thieno[3,2-c]pyridin-4(5H)-one

IUPAC Name: 5H-thieno[3,2-c]pyridin-4-one | CAS Registry Number: 27685-92-3
Synonyms: Thieno[3,2-c]pyridin-4-ol, Thieno[3,2-c]pyridin-4(5H)-one, MolPort-002-500-675, MolPort-004-968-983, NSC149764, CID288525, ZINC16972315, EN000033

Molecular Formula:	C₇H₅NOS	Molecular Weight:	151.185700 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: DUPNPBCUJHMSFZ-UHFFFAOYSA-N

• Thieno[3,2-c]pyridine-2-carboxylic acid, 4,5,6,7-tetrahydro-

IUPAC Name: 4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carboxylic acid | CAS Registry Number: 116118-98-0
Synonyms: 4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carboxylic acid, AG-D-37403, 4H,5H,6H,7H-thieno[3,2-c]pyridine-2-carboxylic acid, Thieno[3,2-c]pyridine-2-carboxylicacid, 4,5,6,7-tetrahydro-, SureCN977949, AGN-PC-000UG2, ACMC-209z15, CTK0H3026, MolPort-000-894-472, ANW-49671, SBB036123, WTI-11504, AKOS000313576, MB06538, RP24406, AK-27286, BR-27286, EN002446, KB-35560, AM20120465

Molecular Formula:	C₈H₉NO₂S	Molecular Weight:	183.227560 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	4

InChIKey: OEYJTWUFGQRSOD-UHFFFAOYSA-N

• Thiomorpholine

IUPAC Name: thiomorpholine | CAS Registry Number: 123-90-0
Synonyms: Thiamorpholine, Thiazolidinane, Parathiazan, 1,4-Thiazane, 1,4-Thiazan, 1-Thia-4-azacyclohexane, Tetrahydro-1,4-thiazine, Tetrahydro-2H-1,4-thiazine, 196274_ALDRICH, CHEBI:36392, EINECS 204-660-2, T-3790, InChI=1/C4H9NS/c1-3-6-4-2-5-1/h5H,1-4H, 5967-90-8

Molecular Formula:	C₄H₉NS	Molecular Weight:	103.185960 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: BRNULMACUQOKMR-UHFFFAOYSA-N

• thiophene-3,4-dicarbaldehyde

IUPAC Name: thiophene-3,4-dicarbaldehyde | CAS Registry Number: 1073-31-0
Synonyms: MolPort-005-941-132, ZINC22003342, EN001169

Molecular Formula:	C₆H₄O₂S	Molecular Weight:	140.159760 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: GCYSRLXIEWTZNM-UHFFFAOYSA-N

• Tianeptine Acid

Synonyms: Tianeptine, Stablon, Tianeptine (INN), Tianeptine [INN], Stablon (TN), Tianeptinum [INN-Latin], Tianeptina [INN-Spanish], BRN 1232295, TL8004726, D02575, 30123-17-2, 7-((3-Chloro-6,11-dihydro-6-methyldibenzo(c,f)(1,2)thiazepin-11-yl)amino)heptanoic acid S,S-dioxide, Heptanoic acid, 7-((3-chloro-6,11-dihydro-6-methyldibenzo(e,f)(1,2)thiazapin-11-yl)amino)-, S,S-dioxide

Molecular Formula:	C₂₁H₂₅ClN₂O₄S	Molecular Weight:	436.952200 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	6

InChIKey: JICJBGPOMZQUBB-UHFFFAOYSA-N

• Tianeptine Sodium

Synonyms: Tianeptine sodium salt, EINECS 250-059-3, 66981-73-5, Sodium 7-((3-chloro-6,11-dihydro-6-methyldibenzo(c,f)(1,2)thiazepin-11-yl)amino)heptanoate S,S-dioxide

Molecular Formula:	C₂₁H₂₅ClN₂NaO₄S-	Molecular Weight:	459.941970 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	6

InChIKey: KBNZQVDKURREAX-UHFFFAOYSA-L

• Tiotropium bromide

Synonyms: Spiriva, Tiotropium, Spiriva Handihaler, Spiriva Respimat, TIOTROPIUM BROMIDE, BA 679BR, Tiotropium bromide [USAN:INN], BA 679 BR, BA-679 BR, BA-679-BR, 3-Oxa-9-azoniatricyclo(3,3.1.0(2,4))nonane, 7-((hydroxydi-2-thienylacetyl)oxy)-9,9-dimethyl-, bromide, (1alpha,2beta,4beta,5alpha,7beta)-, 7-((Hydroxybis(2-thienyl)acetyl)oxy)-9,9-dimethyl-3-oxa-9-azoniatricyclo(3.3.1.0(2,4))nonane bromide

Molecular Formula:	C₁₉H₂₂BrNO₄S₂	Molecular Weight:	472.416280 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	5

InChIKey: DQHNAVOVODVIMG-RGECMCKFSA-M

• Tiotropium Bromide Monohydrate

Synonyms: Tiotropium, TIOTROPIUM BROMIDE, Tiotropium bromide hydrate, DB01409, LS-192193, 3-Oxa-9-azoniatricyclo(3.3.1.02,4)nonane, 7-((hydroxydi-2-thienylacetyl)oxy)-9,9-dimethyl-, bromide, hydrate, (1alpha,2beta,4beta,5alpha,7beta)-

Molecular Formula:	C₁₉H₂₂BrNO₄S₂	Molecular Weight:	472.416280 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	5

InChIKey: DQHNAVOVODVIMG-CJTHRXGHSA-M

• TMB 3,3',5,5'-Tetramethyl Benzidine

IUPAC Name: 4-(4-amino-3,5-dimethylphenyl)-2,6-dimethylaniline | CAS Registry Number: 54827-17-7
Synonyms: 3,3',5,5'-TETRAMETHYLBENZIDINE, CCRIS 4727, HSDB 4331, T2885_SIGMA, T4444_SIGMA, T5525_SIGMA, 3,5,3',5'-Tetramethylbenzidine, 860336_ALDRICH, 09743_FLUKA, 87748_FLUKA, EINECS 259-364-6, BRN 2808541, ZINC00057517, LS-1349, NCGC00091075-01, ST5306987, 3,3',5,5'-tetramethylbiphenyl-4,4'-diamine, T-2095, T-2100, 3,3',5,5'-Tetramethyl(1,1'-biphenyl)-4,4'-diamine

Molecular Formula:	C₁₆H₂₀N₂	Molecular Weight:	240.343400 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	2

InChIKey: UAIUNKRWKOVEES-UHFFFAOYSA-N

• TOP-53 (free base)

IUPAC Name: (5R,5aR,8aR,9S)-9-[2-[2-dimethylaminoethyl(methyl)amino]ethyl]-5-(4-hydroxy-3,5-dimethoxyphenyl)-5a,8,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-6-one | CAS Registry Number: 148262-19-5
Synonyms: CID177859, CID 177859

Molecular Formula:	C₂₈H₃₆N₂O₇	Molecular Weight:	512.594640 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	9

InChIKey: KLCCMMSKRMSMKI-QVNMXXJYSA-N

• Trans-4-Acetamidocyclohexanol

IUPAC Name: N-(4-hydroxycyclohexyl)acetamide | CAS Registry Number: 27489-60-7
Synonyms: N-(4-Hydroxycyclohexyl)acetamide, NSC150046, CID90074, EINECS 245-613-6, EINECS 248-491-2, NSC130812, OR1007, ZINC15020435, trans-N-(4-Hydroxycyclohexyl)acetamide, BBV-24869633, Acetamide, N-(4-hydroxycyclohexyl)-, cis-, Acetamide, N-(4-hydroxycyclohexyl)-, trans-, 23363-88-4

Molecular Formula:	C₈H₁₅NO₂	Molecular Weight:	157.210200 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	2

InChIKey: HWAFCRWGGRVEQL-UHFFFAOYSA-N

• trans-4-Aminocyclohexane carboxylic acid

IUPAC Name: 4-aminocyclohexane-1-carboxylic acid | CAS Registry Number: 3685-25-4
Synonyms: Oprea1_021616, 4-Aminocyclohexanecarboxylic acid, 404853_ALDRICH, 07619_FLUKA, AIDS018634, AIDS-018634, NSC12784, NSC12785, cis-4-Aminocyclohexanecarboxylic acid, trans-4-Aminocyclohexanecarboxylic acid, ST5307499, Cyclohexanecarboxylic acid, 4-amino-, cis-(+-)-, 3685-23-2, 57043-03-5, InChI=1/C7H13NO2/c8-6-3-1-5(2-4-6)7(9)10/h5-6H,1-4,8H2,(H,9,10)/t5-,6

Molecular Formula:	C₇H₁₃NO₂	Molecular Weight:	143.183620 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: DRNGLYHKYPNTEA-UHFFFAOYSA-N

• Triethyloxonium tetrafluoroborate

IUPAC Name: triethyloxidanium | CAS Registry Number: 368-39-8
Synonyms: ZINC01720499

Molecular Formula:	C₆H₁₅O+	Molecular Weight:	103.182700 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	0

InChIKey: DWCSXQCXXITVKE-UHFFFAOYSA-N

• Trivinylboroxin

IUPAC Name: pyridine;2,4,6-tris(ethenyl)-1,3,5,2,4,6-trioxatriborinane | CAS Registry Number: 92988-08-4
Synonyms: trivinylboroxin pyridine complex, Vinylboronic anhydride pyridine complex, 2,4,6-Trivinylcyclotriboroxane-pyridine, 2,4,6-Trivinylcyclotriboroxane pyridine complex, 2,4,6-Trivinylcyclotriboroxane Pyridine, 2,4,6-Trivinylcyclotriboroxanepyridinecomplex, 442850-89-7, 95010-17-6, O'Shea's reagent, AC1Q2ARB, SureCN289149, AC1MC1Z5, vinylboronic anhydride pyridine, 637998_ALDRICH, CTK5J7212, Triethenylboroxin pyridine complex, MolPort-000-931-579, OR7267, AKOS004116512, AG-A-25588

Molecular Formula:	C₁₁H₁₄B₃NO₃	Molecular Weight:	240.666760 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	4

InChIKey: YLHJACXHRQQNQR-UHFFFAOYSA-N

• Troxipide

IUPAC Name: 3,4,5-trimethoxy-N-piperidin-3-ylbenzamide | CAS Registry Number: 30751-05-4
Synonyms: troxipide, Aplace, Troxipidum [Latin], Troxipida [Spanish], Aplace (TN), Troxipide [INN:JAN], Troxipide (JAN/INN), KU-54, MLS000759522, MLS001424037, KU 54, C15H22N2O4, BRN 0493078, 3-(3,4,5-Trimethoxybenzamido)piperidine, BBV-040738, 3,4,5-Trimethoxy-N-(3-piperidyl)benzamide, CPD000466385, LS-27389, SAM001246756, SMR000466385

Molecular Formula:	C₁₅H₂₂N₂O₄	Molecular Weight:	294.346180 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	5

InChIKey: YSIITVVESCNIPR-UHFFFAOYSA-N

• Vanillin Isobutyrate

IUPAC Name: (4-formyl-2-methoxyphenyl) 2-methylpropanoate | CAS Registry Number: 20665-85-4
Synonyms: Vanillin isobutyrate, 4-Formyl-2-methoxyphenyl isobutyrate, 4-Formyl-2-methoxyphenyl 2-methylpropanoate, Propanoic acid, 2-methyl-, 4-formyl-2-methoxyphenyl ester, Vanillyl isobutyrate, PubChem19622, AC1LBP8G, DSSTox_CID_27201, DSSTox_RID_82196, UNII-C55654RCNR, DSSTox_GSID_47201, W375403_ALDRICH, FEMA No. 3754, AC1Q489T, Jsp004234, 3-Methoxy-4-isobutyrylbenzaldehyde, 4-Hydroxy-m-anisaldehyde isobutyrate, EINECS 243-956-6, Isobutyric acid, ester with vanillin, Tox21_302542

Molecular Formula:	C₁₂H₁₄O₄	Molecular Weight:	222.237160 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	4

InChIKey: BGKAKRUFBSTALK-UHFFFAOYSA-N

• Vinylboronic acid pinacol ester

IUPAC Name: 2-ethenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane | CAS Registry Number: 75927-49-0
Synonyms: 633348_ALDRICH, TE5087, 4,4,5,5-Tetramethyl-2-vinyl-1,3,2-dioxaborolane

Molecular Formula:	C₈H₁₅BO₂	Molecular Weight:	154.014500 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: DPGSPRJLAZGUBQ-UHFFFAOYSA-N

• VX-950

IUPAC Name: (1S,3aR,6aS)-2-[(2S)-2-[[(2S)-2-cyclohexyl-2-(pyrazine-2-carbonylamino)acetyl]amino]-3,3-dimethylbutanoyl]-N-[1-(cyclopropylamino)-1,2-dioxohexan-3-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-1-carboxamide | CAS Registry Number: 402957-28-2
Synonyms: VX 950, LY 570310, 569364-34-7, Cyclopenta(c)pyrrole-1-carboxamide, (2S)-2-cyclohexyl-N-(pyrazinylcarbonyl)glycyl-3-methyl-L-valyl-N-((1S)-1-((cyclopropylamino)oxoacetyl)butyl)octahydro-, (1S,3aR,6aS)-

Molecular Formula:	C₃₆H₅₃N₇O₆	Molecular Weight:	679.849320 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	8

InChIKey: BBAWEDCPNXPBQM-IGSHNTALSA-N

• Z-Lys(Boc)-OH

IUPAC Name: (4S)-4-(phenylmethyl)-1,3-oxazolidin-2-one | CAS Registry Number: 90719-32-7
Synonyms: (S)-4-Benzyl-2-oxazolidinone, 294640_ALDRICH, 13616_FLUKA, CID736225, ZINC00156419, ZINC04284392, SB 02020, TL8005821, InChI=1/C10H11NO2/c12-10-11-9(7-13-10)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,11,12

Molecular Formula:	C₁₀H₁₁NO₂	Molecular Weight:	177.199840 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: OJOFMLDBXPDXLQ-VIFPVBQESA-N

• 3-Acetylbenzeneboronic acid

IUPAC Name: (3-acetylphenyl)boronic acid | CAS Registry Number: 204841-19-0
Synonyms: 3-Acetylphenylboronic acid, 470813_ALDRICH, SBB000147, FS000885, TL8001698

Molecular Formula:	C₈H₉BO₃	Molecular Weight:	163.966260 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: SJGGDZCTGBKBCK-UHFFFAOYSA-N

• 2-Fluorophenylalanine

IUPAC Name: 2-amino-3-(2-fluorophenyl)propanoic acid | CAS Registry Number: 2629-55-2
Synonyms: Fluorophenylalanine, o-Fluorophenylalanine, 3-(o-Fluorophenyl)alanine, dl-o-Fluorophenylalanine, o-Fluoro-dl-phenylalanine, 2-Fluoro-dl-phenylalanine, Phenylalanine, 2-fluoro-, TimTec1_001819, DL-3-(2-Fluorophenyl)alanine, 47300_FLUKA, CID9465, Phenylalanine, 2-fluoro- (9CI), ALANINE, 3-(o-FLUOROPHENYL)-, EINECS 220-105-7, LS-16115, ST024950, F-6372, 325-69-9, 35175-89-4

Molecular Formula:	C₉H₁₀FNO₂	Molecular Weight:	183.179603 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	4

InChIKey: NYCRCTMDYITATC-UHFFFAOYSA-N

• 4-Fluorophenylalanine

IUPAC Name: 2-amino-3-(4-fluorophenyl)propanoic acid | CAS Registry Number: 51-65-0
Synonyms: Alnasid, p-fluorophenylalanine, D,L-Fluorophenylalanine, D,L-p-Fluorophenylalanine, DL-p-Fluorophenylalanine, Phenylalanine, 4-fluoro-, Spectrum_001970, 4-FLUORO-DL-PHENYLALANINE, p-Fluoro-dl-phenylalanine, Spectrum2_000902, Spectrum3_001878, Spectrum4_001253, Spectrum5_000766, protein synthesis inhibitor, 4-Fluoro-dl-para-phenylalanine, CCRIS 4819, Alanine, 3-(p-fluorophenyl)-, DL-3-(4-Fluorophenyl)alanine, BSPBio_003356, KBioGR_001806

Molecular Formula:	C₉H₁₀FNO₂	Molecular Weight:	183.179603 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	4

InChIKey: XWHHYOYVRVGJJY-UHFFFAOYSA-N

• 5,6,7,8-Tetrahydroquinoxaline

IUPAC Name: 5,6,7,8-tetrahydroquinoxaline | CAS Registry Number: 34413-35-9
Synonyms: Cyclohexapyrazine, Tetrahydroquinoxaline, 5,6,7,8-TETRAHYDROQUINOXALINE, FEMA No. 3321, Quinoxaline, 5,6,7,8-tetrahydro-, W332100_ALDRICH, 272701_ALDRICH, EINECS 252-002-8, JFD 01263, ZINC00156991, TL806343, LS-179561, InChI=1/C8H10N2/c1-2-4-8-7(3-1)9-5-6-10-8/h5-6H,1-4H

Molecular Formula:	C₈H₁₀N₂	Molecular Weight:	134.178400 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: XCZPDOCRSYZOBI-UHFFFAOYSA-N

• 5-Methylisoxazole-3-Carboxylic Acid

IUPAC Name: 5-methyl-1,2-oxazole-3-carboxylic acid | CAS Registry Number: 3405-77-4
Synonyms: 5-Methylisoxazole-3-carboxylic acid, 644676_ALDRICH, ALBB-000121, 3-Methyl-5-isoxazolecarboxylic acid, 3-Methylisoxazole-5-carboxylic acid, EINECS 222-289-4, EINECS 225-454-9, SBB005437, TL8007308, 4857-42-5

Molecular Formula:	C₅H₅NO₃	Molecular Weight:	127.098100 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: BNMPIJWVMVNSRD-UHFFFAOYSA-N

• 4-Methyl Quinoline

IUPAC Name: 4-methylquinoline | CAS Registry Number: 491-35-0
Synonyms: Lepidine, Cincholepidine, Lepidin, p-Methylquinoline, 4-Lepidine, Quinoline, 4-methyl-, gamma-Methylquinoline, 4-METHYLQUINOLINE, .gamma.-Methylquinoline, Lepidine (6CI,8CI), CCRIS 2894, HSDB 7153, NSC 3412, W513903_ALDRICH, 158283_ALDRICH, Quinoline, 4-methyl- (9CI), CHEBI:48983, EINECS 207-734-2, NSC3412, AIDS089763

Molecular Formula:	C₁₀H₉N	Molecular Weight:	143.185160 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: MUDSDYNRBDKLGK-UHFFFAOYSA-N

• 4-Hydroxyquinoline

IUPAC Name: 1H-quinolin-4-one | CAS Registry Number: 611-36-9
Synonyms: 4-Quinolinol, Quinolin-4-ol, Kynurine, 4-Chinolinol, Quinoline, 4-hydroxy-, Fragment 18, quinolin-4(1H)-one, 4(1H)-Quinolinone, CCRIS 4329, Oprea1_521432, 4-Quinolinol (8CI,9CI), H58005_ALDRICH, NSC 3183, CHEBI:15815, EINECS 210-268-2, NSC3183, AIDS020542, KUC100207N, AIDS-020542, BRN 1524969

Molecular Formula:	C₉H₇NO	Molecular Weight:	145.157980 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: PMZDQRJGMBOQBF-UHFFFAOYSA-N

• 1-Methylpiperidine

IUPAC Name: 1-methylpiperidin-1-ium | CAS Registry Number: 626-67-5
Synonyms: 1-methylpiperidinium, piperidinium, 1-methyl-, ZINC01640941, CID637968, InChI=1/C6H13N/c1-7-5-3-2-4-6-7/h2-6H2,1H3/p+

Molecular Formula:	C₆H₁₄N+	Molecular Weight:	100.182060 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	0

InChIKey: PAMIQIKDUOTOBW-UHFFFAOYSA-O

• 4-N-boc-Methylamino Piperidine

IUPAC Name: tert-butyl N-methyl-N-piperidin-4-ylcarbamate | CAS Registry Number: 108612-54-0
Synonyms: 4-N-Boc-4-N-methyl-aminopiperidine, tert-butyl methyl(piperidin-4-yl)carbamate, 4-boc-4-methylaminopiperidine, tert-butyl N-methyl-N-(piperidin-4-yl)carbamate, Methyl-piperidin-4-yl-carbamic acid tert-butyl ester, Tert-butyl N-methyl-N-(4-piperidyl)carbamate, 4-(N-Boc-N-methylamino)piperidine, 4-N-Boc-4-N-methylaminopiperidine, 4-aminopiperidine-n-methyl, n-boc protected, methyl-piperidine-4-yl-carbamic acid tert-butyl ester, PubChem7637, AC1MBUEV, SureCN135183, AC1Q3X89, CTK6H9225, MolPort-000-151-701, 4-BOC-METHYLAMINOPIPERIDINE, BH563, ACN-S003757, ACT02071

Molecular Formula:	C₁₁H₂₂N₂O₂	Molecular Weight:	214.304580 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: DJJOYDXRUBOZON-UHFFFAOYSA-N

• 2,4,5-Trichloropyrimidine

IUPAC Name: 2,4,5-trichloropyrimidine | CAS Registry Number: 5750-76-5
Synonyms: Pyrimidine, 2,4,5-trichloro-, 652032_ALDRICH, NSC40593, AIDS124615, AIDS-124615, NSC 40593, ZINC01672144, NCI60_003837, TL8003699

Molecular Formula:	C₄HCl₃N₂	Molecular Weight:	183.423140 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: GIKMWFAAEIACRF-UHFFFAOYSA-N

• 2,4-Dichloro-5-methylpyrimidine

IUPAC Name: 2,4-dichloro-5-methylpyrimidine | CAS Registry Number: 1780-31-0
Synonyms: D66182_ALDRICH, 5-Methyl-2,4-dichloropyrimidine, NSC37532, Pyrimidine, 2,4-dichloro-5-methyl-, CID74508, EINECS 217-227-8, NSC 37532, InChI=1/C5H4Cl2N2/c1-3-2-8-5(7)9-4(3)6/h2H,1H

Molecular Formula:	C₅H₄Cl₂N₂	Molecular Weight:	163.004660 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: DQXNTSXKIUZJJS-UHFFFAOYSA-N

• 2,4-Dichloro-5-nitro-6-methylpyrimidine

IUPAC Name: 2,4-dichloro-6-methyl-5-nitropyrimidine | CAS Registry Number: 13162-26-0
Synonyms: NSC122005, CID275294, TL8000747

Molecular Formula:	C₅H₃Cl₂N₃O₂	Molecular Weight:	208.002220 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	4

InChIKey: NBCOZXBHPKSFSA-UHFFFAOYSA-N

• 2-Amino-4-chloropyrimidine

IUPAC Name: 4-chloropyrimidin-2-amine | CAS Registry Number: 3993-78-0
Synonyms: 4-Chloro-2-pyrimidinamine, 4-Chloro-2-aminopyrimidine, 661325_ALDRICH, AIDS020789, AIDS-020789, NSC10872, NSC25184, CID223332, TL8002886, AC-907/30002014

Molecular Formula:	C₄H₄ClN₃	Molecular Weight:	129.547660 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: DBGFGNCFYUNXLD-UHFFFAOYSA-N

• 2-Amino-5-bromopyrimidine

IUPAC Name: 5-bromopyrimidin-2-amine | CAS Registry Number: 7752-82-1
Synonyms: 5-Bromo-2-pyrimidinamine, 2-Pyrimidinamine, 5-bromo-, 5-bromopyrimidin-2-ylamine, Pyrimidine, 2-amino-5-bromo-, 303526_ALDRICH, NSC27269, SBB000184, ZINC00967319, TL806169, AC-907/25014021, SR-01000639998-1

Molecular Formula:	C₄H₄BrN₃	Molecular Weight:	173.998660 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: UHRHPPKWXSNZLR-UHFFFAOYSA-N

• 2-Cyanopyrimidine

IUPAC Name: pyrimidine-2-carbonitrile | CAS Registry Number: 14080-23-0
Synonyms: pyrimidine-2-carbonitrile, 2-Pyrimidinecarbonitrile, AG-D-81557, F2173-0037, 2-cyano-pyrimidine, 2-Cyano pyrimidine, Pyrimidinecarbonitrile, ZINC02531032, zlchem 283, PubChem7042, 2CPM, ACMC-1BOY6, AGN-PC-0D4UNG, SureCN151679, AC1MBX40, SureCN2643396, 2-CPY, KSC138C0F, 646830_ALDRICH, AC1Q4R59

Molecular Formula:	C₅H₃N₃	Molecular Weight:	105.097420 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: IIHQNAXFIODVDU-UHFFFAOYSA-N

• 4 -Amino-2-chloro-5-fluoropyrimidine

IUPAC Name: 2-chloro-5-fluoropyrimidin-4-amine | CAS Registry Number: 155-10-2
Synonyms: NCIOpen2_000951, A8406_SIGMA, NSC78716, 4-Amino-2-chloro-5-fluoropyrimidine, CID254372

Molecular Formula:	C₄H₃ClFN₃	Molecular Weight:	147.538123 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: SLQAJWTZUXJPNY-UHFFFAOYSA-N