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Profile: Spectrum Info Ltd. focuses on laboratory scale synthesis of fine organic chemicals and combinatorial building blocks. We provide rare and commercially unavailable compounds for research chemists. Our catalog of fine chemicals contains several hundred building blocks for organic synthesis. We provide about 500 synthetic dyes of various classes covering the absorbance range 350-1100 nm. Specialty dyes catalog includes laser dyes, fluorescent probes, dyes for worm disks production & electrophotography, silver halide sensitizers for visible & near IR region, and indicators.

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• 3-Penten-2-One,5-(1,3-Dihydro-1,3,3-Trimethyl-2H-Indol-2-Ylidene)-

IUPAC Name: 5-(1,3,3-trimethylindol-2-ylidene)pent-3-en-2-one | CAS Registry Number: 53704-20-4
Synonyms: CTK1G9161, CTK8J1205, (3E,5E)-5-(1,3,3-TRIMETHYL-1,3-DIHYDRO-2H-INDOL-2-YLIDENE)PENT-3-EN-2-ONE, AG-F-84899, (E,5E)-5-(1,3,3-Trimethylindolin-2-ylidene)pent-3-en-2-one, (3E, 5E)-5-(1, 3, 3-Trimethyl-1, 3-dihydro-2H-indol-2-ylidene)pent-3-en-2-one;

Molecular Formula:	C₁₆H₁₉NO	Molecular Weight:	241.328160 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: HBKYTZJPJFSCEF-UHFFFAOYSA-N

• 3,3'-Diethylthiatricarbocyanine Iodide

IUPAC Name: (2Z)-3-ethyl-2-[(2E,4E,6E)-7-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)hepta-2,4,6-trienylidene]-1,3-benzothiazole iodide | CAS Registry Number: 3071-70-3
Synonyms: MLS001194940, EINECS 221-342-9, CHEBI:228192, 3,3'-Diethylheptamethinethiacyanine iodide, CID5702699, CID9937256, LS-40891, SMR000554531, LT00453331, 3-Ethyl-2-(7-(3-ethyl-2-benzothiazolinylidene)-1,3,5-heptatrienyl)benzothiazolium iodide, 3-Ethyl-2-(7-(3-ethyl-3H-benzothiazol-2-ylidene)hepta-1,3,5-trienyl)benzothiazolium iodide, Benzothiazolium, 3-ethyl-2-(7-(3-ethyl-2-benzothiazolinylidene)-1,3,5-heptatrienyl)-, iodide, Benzothiazolium, 3-ethyl-2-(7-(3-ethyl-2(3H)-benzothiazolylidene)-1,3,5-heptatrienyl)-, iodide, 3-ethyl-2-[(1E,3E,5E,7E)-7-(3-ethyl-1,3-benzothiazol-2(3H)-ylidene)hepta-1,3,5-trienyl]-1,3-benzothiazol-3-ium, 3-Ethyl-2-{(1E,3E,5E)-7-[3-ethyl-3H-benzothiazol-(2Z)-ylidene]-hepta-1,3,5-trienyl}-benzothiazol-3-ium; iodide, 51895-79-5, 89013-15-0, Benzothiazolium, 3-ethyl-2-(7-(3-ethyl-2(3H)-benzothiazolylidene)-1,3,5-heptatrien-1-yl)-, iodide (1:1)

Molecular Formula:	C₂₅H₂₅IN₂S₂	Molecular Weight:	544.513870 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: OYVFJKVYVDYPFV-UHFFFAOYSA-M

• 2-[2-[2-Chloro-3-[(1,3-dihydro-1,3,3-trimethyl-5-sulfo-2H-indol-2-ylidene)ethylidene]-1-cyclohexen-1-yl]ethenyl]-1,3,3-trimethyl-5-sulfo-3H-indolium inner salt sodium salt

IUPAC Name: sodium;(2E)-2-[(2E)-2-[2-chloro-3-[(E)-2-(1,3,3-trimethyl-5-sulfonatoindol-1-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-1,3,3-trimethylindole-5-sulfonate | CAS Registry Number: 328064-20-6
Synonyms: AKOS000814372, 3H-INDOLIUM,2-[2-[2-CHLORO-3-[ ETHYLIDENE]-1-CYCLOHEXEN-1-YL]ETHENYL]-1,3,3-TRIMETHYL-5-SULFO-,INNERSALT,SODIUMSALT

Molecular Formula:	C₃₂H₃₄ClN₂NaO₆S₂	Molecular Weight:	665.194929 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	7

InChIKey: PVCSEUMSZNJNJZ-UHFFFAOYSA-M

• 2-[2-[2-Chloro-3-[(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)ethylidene]-1-cyclopenten-1-yl]ethenyl]-1,3,3-trimethylindolium iodide

IUPAC Name: (2Z)-2-[(2Z)-2-[2-chloro-3-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-1,3,3-trimethylindole;iodide | CAS Registry Number: 56289-67-9
Synonyms: IR-786 iodide, 2-[2-[2-Chloro-3-[(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)ethylidene]-1-cyclohexen-1-yl]ethenyl]-1,3,3-trimethylindolium iodide

Molecular Formula:	C₃₂H₃₆ClIN₂	Molecular Weight:	610.999110 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: UOKPQDRVXJDDCA-UHFFFAOYSA-M

• 2-((E)-2-[5-[(Z)-2-(3,3-Dimethyl-1-phenyl-1,3-dihydro-2H-indol-2-ylidene)ethylidene]-2H-pyran-3(6H)-yl]ethenyl)-3,3-dimethyl-1-phenyl-3H-indolium tetrafluoroborate

IUPAC Name: (2Z)-2-[2-[3-[(E)-2-(3,3-dimethyl-1-phenylindol-1-ium-2-yl)ethenyl]-2H-pyran-5-ylidene]ethylidene]-3,3-dimethyl-1-phenylindole;tetrafluoroborate | CAS Registry Number: 262607-26-1
Synonyms: 2-((E)-2-[5-[(Z)-2-(3,3-DIMETHYL-1-PHENYL-1,3-DIHYDRO-2H-INDOL-2-YLIDENE)ETHYLIDENE]-2H-PYRAN-3(6H)-YL]ETHENYL)-3,3-DIMETHYL-1-PHENYL-3H-INDOLIUM TETRAFLUOROBORATE, KB-161528

Molecular Formula:	C₄₁H₃₉BF₄N₂O	Molecular Weight:	662.565773 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	7

InChIKey: LDKHKDNEQKVSNS-UHFFFAOYSA-N

• 1-Benzyl-Azepan-4-One Hydrochloride

IUPAC Name: 1-benzylazepan-4-one;hydrochloride | CAS Registry Number: 1208-76-0
Synonyms: 1-Benzyl-4-oxoazepane HCl, 1-Benzyl-4-oxoazepane hydrochloride, 1-BENZYL-AZEPAN-4-ONE HYDROCHLORIDE, F2167-0002, AGN-PC-00KR1S, SureCN1171130, CTK8F3254, 1-Benzyl-4-azepanone hydrochloride, AKOS015909255, AB63061, AG-D-45497, 1-BENZYL-4-AZEPANONE HYDROCHLORIDE, KB-218099, I14-33463, 4H-Azepin-4-one, hexahydro-1-(phenylmethyl)-, hydrochloride, 4H-Azepin-4-one,1-benzylhexahydro-, hydrochloride (6CI,7CI,8CI); 4H-Azepin-4-one, hexahydro-1-(phenylmethyl)-,hydrochloride (9CI); N-Benzylhexahydroazepin-4-one hydrochloride

Molecular Formula:	C₁₃H₁₈ClNO	Molecular Weight:	239.741120 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: TVIICJDDSIMWQT-UHFFFAOYSA-N

• 1,4-Dinitrobenzene

IUPAC Name: 1,4-dinitrobenzene | CAS Registry Number: 100-25-4
Synonyms: Benzene, p-dinitro-, Dintrobenzenes, P-DINITROBENZENE, Dithane A-4, Benzene, 1,4-dinitro-, Dinitrobenzene, p-, Dinitrobenzene, para-, 1,4-Dinitro-benzene, Dinitrobenzene, all isomers, WLN: WNR DNW, CCRIS 3092, ghl.PD_Mitscher_leg0.912, HSDB 4485, 102369_ALDRICH, 442250_SUPELCO, 45967_RIEDEL, NSC 3809, 42000_FLUKA, 45967_FLUKA, CHEBI:51398

Molecular Formula:	C₆H₄N₂O₄	Molecular Weight:	168.106960 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	4

InChIKey: FYFDQJRXFWGIBS-UHFFFAOYSA-N

• 2-(2-[2-Chloro-3-([1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene]ethylidene)-1-cyclohexen-1-yl]ethenyl)-1,3,3-trimethylindolium perchlorate

IUPAC Name: 2-[2-[2-chloro-3-[2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-1,3,3-trimethylindole;perchlorate | CAS Registry Number: 102185-03-5
Synonyms: IR 786, AC1MBG5T, ACMC-20m56x, AGN-PC-00OWQ1, CTK4A0763, AG-D-10655, KB-162277, (2Z)-2-[(2E)-2-[2-chloro-3-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-1,3,3-trimethylindole;perchlorate, 2-[2-[2-chloro-3-[2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-1,3,3-trimethylindole perchlorate, 3H-Indolium,2-[2-[2-chloro-3-[(1,3- dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)- ethylidene]-1-cyclohexen-1-yl]ethenyl]-1,3,3- trimethyl-,perchlorate;CY 2;2-(2-{2-Chloro-3-[2-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)ethylidene]-1-cyclohexen-1-yl}ethenyl)-1,3,3-trimethyl-3H-indolium perchlorate;

Molecular Formula:	C₃₂H₃₆Cl₂N₂O₄	Molecular Weight:	583.545240 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	5

InChIKey: NALBXTAOVMLCIX-UHFFFAOYSA-M

• 2-[2-[2-Chloro-3-[2-[1,3-dihydro-3,3-dimethyl-1-(3-sulfopropyl)-2H-indol-2-ylidene]ethylidene]-1-cyclohexen-1-yl]ethenyl]-3,3-dimethyl-1-(3-sulfopropyl)-3H-indolium inner salt sodium salt

IUPAC Name: sodium;3-[(2E)-2-[(2E)-2-[2-chloro-3-[(E)-2-[3,3-dimethyl-1-(3-sulfonatopropyl)indol-1-ium-2-yl]ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethylindol-1-yl]propane-1-sulfonate | CAS Registry Number: 115970-63-3
Synonyms: AKOS000813927, AKOS000814356, AT-45483

Molecular Formula:	C₃₆H₄₂ClN₂NaO₆S₂	Molecular Weight:	721.300 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	7

InChIKey: DIKZRBGLKOXIJQ-UHFFFAOYSA-M

• 1,3,3-Trimethyl-2-((E)-2-(2-phenyl-3-[(E)-2-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)ethylidene]-1-cyclohexen-1-yl)ethenyl)-3H-indolium tetrafluoroborate

IUPAC Name: 1,3,3-trimethyl-2-[2-[2-phenyl-3-[2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]indole;tetrafluoroborate | CAS Registry Number: 246517-73-7
Synonyms: CTK1A0398, CTK8H8074, AG-E-73826, 1,3,3-TRIMETHYL-2-((E)-2-(2-PHENYL-3-[(E)-2-(1,3,3-TRIMETHYL-1,3-DIHYDRO-2H-INDOL-2-YLIDENE)ETHYLIDENE]-1-CYCLOHEXEN-1-YL)ETHENYL)-3H-INDOLIUM TETRAFLUOROBORATE, 1,3,3-trimethyl-2-((E)-2-{2-phenyl-3-[(E)-2-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)ethylidene]-1-cyclohexen-1-yl}ethenyl)-3H-indolium tetrafluoroborate;

Molecular Formula:	C₃₈H₄₁BF₄N₂	Molecular Weight:	612.550153 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	6

InChIKey: SDMBNWXOOSXOML-UHFFFAOYSA-N

• 3-(3-fluoro-4-methylphenyl)propanoic acid

IUPAC Name: 3-(3-fluoro-4-methylphenyl)propanoic acid | CAS Registry Number: 881189-62-4
Synonyms: 3-(3-FLUORO-4-METHYLPHENYL)PROPIONIC ACID, F9995-1020, SCHEMBL585740, CTK7J3032, MolPort-006-707-651, SBB089902, STL302091, AKOS012535926, MCULE-9844554977

Molecular Formula:	C₁₀H₁₁FO₂	Molecular Weight:	182.191543 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: DYVQAEHNFXNAEH-UHFFFAOYSA-N

• 3-(4-fluoro-3-methoxyphenyl)propanoic acid

IUPAC Name: 3-(4-fluoro-3-methoxyphenyl)propanoic acid | CAS Registry Number: 864960-96-3
Synonyms: 3-(4-Fluoro-3-methoxyphenyl)propionic acid, SCHEMBL4208634, ANPCCWWNYXSFDQ-UHFFFAOYSA-N, MolPort-006-758-049, AKOS015958361, 3-(4-Fluoro-3-methoxy-phenyl)-propionic acid, F9995-1022

Molecular Formula:	C₁₀H₁₁FO₃	Molecular Weight:	198.190943 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: ANPCCWWNYXSFDQ-UHFFFAOYSA-N

• 1-(1-phenyl-1H-1,2,3,4-tetraazol-5-yl)-4-piperidinamine (CAS: 781612-07-5)

• 3-(4'-methyl-1,1'-biphenyl-4-yl)propanoic acid

IUPAC Name: 3-[4-(4-methylphenyl)phenyl]propanoic acid | CAS Registry Number: 893641-34-4
Synonyms: AC1LRD8F, SCHEMBL1510710, 4'-Methyl-biphenyl-4-propanoic acid, AKOS004116207, 3-[4-(4-methylphenyl)phenyl]propanoic acid

Molecular Formula:	C₁₆H₁₆O₂	Molecular Weight:	240.302 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: PJGTWJUYKKIZFL-UHFFFAOYSA-N

• 5-(4-methylphenyl)-1,2,4-thiadiazol-3-amine

IUPAC Name: 5-(4-methylphenyl)-1,2,4-thiadiazol-3-amine | CAS Registry Number: 1086385-80-9
Synonyms: SCHEMBL13662645, AKOS013867681

Molecular Formula:	C₉H₉N₃S	Molecular Weight:	191.252 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: OXSMOGHZKLLLHW-UHFFFAOYSA-N

• 3-(1-aminoethyl)-2-methyl-1-benzofuran-5-ol

IUPAC Name: 3-(1-aminoethyl)-2-methyl-1-benzofuran-5-ol | CAS Registry Number: 1086385-99-0
Synonyms: AKOS015958489

Molecular Formula:	C₁₁H₁₃NO₂	Molecular Weight:	191.230 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: IDSQBVHWAQXGRI-UHFFFAOYSA-N

• 4,4-dimethyl-1-phenyl-3-pentanol (CAS: 18335-33-6)

• 4-(1-piperazinyl)-1H-pyrazolo[3,4-d]pyrimidine

IUPAC Name: 4-piperazin-1-yl-1H-pyrazolo[3,4-d]pyrimidine | CAS Registry Number: 853687-31-7
Synonyms: F2167-0018, 4-(1-Piperazinyl)-1H-pyrazolo[3,4-d]pyrimidine hydrochloride, AC1NA4BR, CTK3E6208, AKOS005208336, 4-piperazin-1-yl-1H-pyrazolo[3,4-d]pyrimidine, 1H-Pyrazolo[3,4-d]pyrimidine, 4-(1-piperazinyl)-

Molecular Formula:	C₉H₁₂N₆	Molecular Weight:	204.231780 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	5

InChIKey: NFHSFWKTBQIKAE-UHFFFAOYSA-N

• 5-benzyl-2-pentyl-5,6-dihydropyrrolo[3,4-c]pyrrole-1,3(2H,4H)-dione

IUPAC Name: 2-benzyl-5-pentyl-1,3-dihydropyrrolo[3,4-c]pyrrole-4,6-dione | CAS Registry Number: 1182284-32-7
Synonyms: AKOS015958681, 2-benzyl-5-pentyl-1,3-dihydropyrrolo[3,4-c]pyrrole-4,6-dione

Molecular Formula:	C₁₈H₂₂N₂O₂	Molecular Weight:	298.386 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: ANUVOWKGUPYGCP-UHFFFAOYSA-N

• 5-(2-naphthyl)imidazolidine-2,4-dione

IUPAC Name: 5-naphthalen-2-ylimidazolidine-2,4-dione | CAS Registry Number: 95361-30-1
Synonyms: 5-(2-naphthyl) hydantoin, SCHEMBL2829814, HLGCUXIRWKRNJF-UHFFFAOYSA-N, AKOS009122529

Molecular Formula:	C₁₃H₁₀N₂O₂	Molecular Weight:	226.235 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	2

InChIKey: HLGCUXIRWKRNJF-UHFFFAOYSA-N

• 5-fluoro-1-benzothiophene-2-carboxylic acid

IUPAC Name: 5-fluoro-1-benzothiophene-2-carboxylic acid

Molecular Formula:	C₉H₅FO₂S	Molecular Weight:	196.198203 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: PLVPMOSTGNZKQQ-UHFFFAOYSA-N

• 4'-methyl-1,1'-biphenyl-4-sulfonohydrazide

• [4-(acetylamino)phenyl]acetic acid

IUPAC Name: 2-(4-acetamidophenyl)acetic acid

Molecular Formula:	C₁₀H₁₁NO₃	Molecular Weight:	193.199240 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: MROJXXOCABQVEF-UHFFFAOYSA-N

• 2-amino-4-phenyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile

IUPAC Name: 2-amino-4-phenyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile

Molecular Formula:	C₁₆H₁₅N₃	Molecular Weight:	249.310400 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: MAOPIIGFJUIBSL-UHFFFAOYSA-N

• 1-[5-(4-chlorophenyl)-2-furoyl]piperazine

IUPAC Name: [5-(4-chlorophenyl)furan-2-yl]-piperazin-1-ylmethanone

Molecular Formula:	C₁₅H₁₅ClN₂O₂	Molecular Weight:	290.744800 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: FSVUGYFGMKVKHY-UHFFFAOYSA-N

• [1-(3-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylamine

• [1-(5-chloro-2-methylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylamine

• {1-[2-chloro-5-(trifluoromethyl)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}methylamine

• 5-[(5-bromofuran-2-yl)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione

IUPAC Name: 5-[(5-bromofuran-2-yl)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione

Molecular Formula:	C₁₁H₉BrO₅	Molecular Weight:	301.090160 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	5

InChIKey: UYEGEDWFSICFJN-UHFFFAOYSA-N

• 1,2,3,4-tetrahydroisoquinolin-3-ylmethylamine hydrobromide

• 2-aminothiophene-3-carboxamide

IUPAC Name: 2-aminothiophene-3-carboxamide

Molecular Formula:	C₅H₆N₂OS	Molecular Weight:	142.178940 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: WHZIZZOTISTHCT-UHFFFAOYSA-N

• 2-bromo-4-(tert-butyl)-1,3-thiazole

IUPAC Name: 2-bromo-4-tert-butyl-1,3-thiazole | CAS Registry Number: 873075-54-8
Synonyms: 2-bromo-4-tert-butyl-1,3-thiazole, 2-Bromo-4-tert-butylthiazole, F2169-0017, ACMC-20ao2b, SureCN3163858, CTK8C6059, STL302098, ZINC11920191, AKOS015957350, MCULE-2514298426

Molecular Formula:	C₇H₁₀BrNS	Molecular Weight:	220.130000 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: ILKZEOZQPGBUCV-UHFFFAOYSA-N

• 2-hydrazino-N,N-dimethyl-1-ethanamine dihydrochloride

IUPAC Name: 2-hydrazinyl-N,N-dimethylethanamine;dihydrochloride | CAS Registry Number: 57659-80-0
Synonyms: 2-(Dimethylamino)ethylhydrazine dihydrochloride, (2-hydrazinoethyl)dimethylamine dihydrochloride, F2167-0065, AC1Q3AHT, Ambpe2002846, 674141_ALDRICH, CTK7F2054, SBB089121, AKOS015845013, AG-A-32481, AG-L-65434, Dimethylaminoethylhydrazine dihydrochloride, KB-92427, EN300-35919, [2-(dimethylamino)ethyl]hydrazine dihydrochloride, N,N-Dimethyl-2-hydrazinoethylamine dihydrochloride, (2-hydrazinoethyl)dimethylamine, chloride, chloride, N-(2-hydrazinoethyl)-N,N-dimethylamine dihydrochloride

Molecular Formula:	C₄H₁₅Cl₂N₃	Molecular Weight:	176.088000 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	3

InChIKey: UIEZCQFBCDAMSI-UHFFFAOYSA-N

• 6-bromo-3-cyano-2-methyl-2H-indazol-1-ium-1-olate (CAS: 1182284-33-8)

• 5-(2-furylmethylene)-2,2-dimethyl-1,3-dioxane-4,6-dione

• 3,4-Dihydro-2H-1,5-benzodioxepin-7-carboxaldehyde

IUPAC Name: 3,4-dihydro-2H-1,5-benzodioxepine-7-carbaldehyde

Molecular Formula:	C₁₀H₁₀O₃	Molecular Weight:	178.184600 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: LCSVYSVGXQQHSI-UHFFFAOYSA-N

• 2-methyl-1,3-benzothiazol-6-amine

IUPAC Name: 2-methyl-1,3-benzothiazol-6-amine

Molecular Formula:	C₈H₈N₂S	Molecular Weight:	164.227520 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: HFUJOSYKJMNSFQ-UHFFFAOYSA-N

• (2Z)-3-(2-aminophenyl)-2-(4-bromophenyl)acrylic acid

• 2,6-DIBROMO-4-CHLOROANILINE

IUPAC Name: 2,6-dibromo-4-chloroaniline

Molecular Formula:	C₆H₄Br₂ClN	Molecular Weight:	285.363660 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: XEYLQXUJSOJWJV-UHFFFAOYSA-N

• 4-methyl-6-quinolinecarboxylic acid

IUPAC Name: 4-methylquinoline-6-carboxylic acid | CAS Registry Number: 7101-68-0
Synonyms: 4-methylquinoline-6-carboxylic Acid, F9995-1002, SureCN4641324, Oprea1_029306, AC1N9X86, CTK2H5429, MolPort-000-877-486, STL227870, 6-Quinolinecarboxylicacid, 4-methyl-, AKOS000320470, MCULE-3892952188, ST45175038

Molecular Formula:	C₁₁H₉NO₂	Molecular Weight:	187.194660 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: CPOLAGTVBYOMKS-UHFFFAOYSA-N

• 3-(4-chloro-3-methylphenyl)propanoic acid

IUPAC Name: 3-(4-chloro-3-methylphenyl)propanoic acid | CAS Registry Number: 1086386-05-1
Synonyms: CTK0G9242, AKOS015958362, Benzenepropanoic acid, 4-chloro-3-methyl-, F9995-1023

Molecular Formula:	C₁₀H₁₁ClO₂	Molecular Weight:	198.646140 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: PCLIPGMIRVJYFB-UHFFFAOYSA-N

• 2-(2-methyl-5-nitrophenyl)acetic acid

IUPAC Name: 2-(2-methyl-5-nitrophenyl)acetic acid | CAS Registry Number: 287119-83-9
Synonyms: SureCN502270, CTK0J9612, ANW-68013, AKOS015842550, Benzeneaceticacid, 2-methyl-5-nitro-, AK-80853, KB-14171

Molecular Formula:	C₉H₉NO₄	Molecular Weight:	195.172060 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: JCSRJKWRJVUXSQ-UHFFFAOYSA-N

• 3-ethoxy-2-propyl-2H-indazole-6-carboxylic acid

IUPAC Name: 3-ethoxy-2-propylindazole-6-carboxylic acid | CAS Registry Number: 919106-92-6
Synonyms: CTK3I5627, AKOS015958445, 2H-Indazole-6-carboxylicacid, 3-ethoxy-2-propyl-

Molecular Formula:	C₁₃H₁₆N₂O₃	Molecular Weight:	248.277740 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: BNHTYXLVATXBMU-UHFFFAOYSA-N

• 7-butyl-1,3-dimethyl-2,4-dioxo-2,3,4,7-tetrahydro-1H-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid (CAS: 1018301-01-3)

• 1,3-dimethyl-2,4-dioxo-2,3,4,7-tetrahydro-1H-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid

IUPAC Name: 1,3-dimethyl-2,4-dioxo-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid | CAS Registry Number: 55307-37-4
Synonyms: F9995-0493, CTK1G7629, AKOS015958503, 1H-Pyrrolo[2,3-d]pyrimidine-6-carboxylicacid, 2,3,4,7-tetrahydro-1,3-dimethyl-2,4-dioxo-

Molecular Formula:	C₉H₉N₃O₄	Molecular Weight:	223.185460 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	4

InChIKey: DXQAFUQFCYEXLL-UHFFFAOYSA-N

• 6-[(2-methoxyethyl)amino]-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbaldehyde

IUPAC Name: 4-(2-methoxyethylamino)-1,3-dimethyl-2,6-dioxopyrimidine-5-carbaldehyde | CAS Registry Number: 1018301-05-7
Synonyms: SCHEMBL15332087, MolPort-006-758-090, ZINC19943987, AKOS015958507, MCULE-8347429946, F9995-1060, 6-((2-methoxyethyl)amino)-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbaldehyde, 6-(2-Methoxyethylamino)-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxaldehyde

Molecular Formula:	C₁₀H₁₅N₃O₄	Molecular Weight:	241.243800 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	5

InChIKey: FSURXRBHEILVMO-UHFFFAOYSA-N

• 5-benzyl-1-[(4-tert-butylphenyl)sulfonyl]-2-thioxoimidazolidin-4-one

IUPAC Name: 5-benzyl-1-(4-tert-butylphenyl)sulfonyl-2-sulfanylideneimidazolidin-4-one | CAS Registry Number: 1008969-72-9
Synonyms: AC1MGAQN, MolPort-000-646-892, QUOHCOBBANPLNL-UHFFFAOYSA-N, AKOS000813362, AKOS016403565, MCULE-5225467284, AQ-750/42297084, 5-Benzyl-1-{[4-(2-methyl-2-propanyl)phenyl]sulfonyl}-2-thiox, 5-benzyl-1-(4-tert-butylphenyl)sulfonyl-2-sulfanylideneimidazolidin-4-one, 5-benzyl-1-[(4-tert-butylphenyl)sulfonyl]-2-thioxo-4-imidazolidinone

Molecular Formula:	C₂₀H₂₂N₂O₃S₂	Molecular Weight:	402.527 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: QUOHCOBBANPLNL-UHFFFAOYSA-N

• 4-FLUORO-2-NITROPHENYLACETIC ACID

IUPAC Name: 2-(4-fluoro-2-nitrophenyl)acetic acid | CAS Registry Number: 39616-95-0
Synonyms: SureCN2989578, 4-Fluoro-2-nitrophenylacetic acid, AKOS005215764, LS11378, 2-(4-Fluoro-2-nitrophenyl)acetic acid, AK-37489

Molecular Formula:	C₈H₆FNO₄	Molecular Weight:	199.135943 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	5

InChIKey: LAFOTQFKZXKMFD-UHFFFAOYSA-N

• (2E)-3-(2-NITROPHENYL)-2-PHENYL-2-PROPENOIC ACID

IUPAC Name: (E)-3-(2-nitrophenyl)-2-phenylprop-2-enoic acid | CAS Registry Number: 5345-40-4
Synonyms: NSC 3038, NSC 90983, CINNAMIC ACID, o-NITRO-alpha-PHENYL-, Acrylic acid, 3-(o-nitrophenyl)-2-phenyl-, (E)-3-(2-nitrophenyl)-2-phenylprop-2-enoic acid, 3-(o-Nitrophenyl)-2-phenylacrylic acid, NSC642586, AC1NV2JI, SureCN11224609, SBB069542, AKOS015958701, NSC-642586, LS-54162, A829603, (E)-3-(2-nitrophenyl)-2-phenyl-2-propenoic acid, (E)-3-(2-nitrophenyl)-2-phenyl-prop-2-enoic acid, S14-1161

Molecular Formula:	C₁₅H₁₁NO₄	Molecular Weight:	269.252140 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: YLWQPIVSPODKCB-JLHYYAGUSA-N

• 4-IODO-1-(PYRIDIN-3-YLMETHYL)PYRAZOLE

IUPAC Name: 3-[(4-iodopyrazol-1-yl)methyl]pyridine | CAS Registry Number: 1187386-00-0
Synonyms: 3-((4-Iodo-1H-pyrazol-1-yl)methyl)pyridine, SureCN12068737, ACMC-2099z5, CTK4B0849, ANW-17199, AKOS013754524, AG-L-20581, 4-Iodo-1-(pyridin-3-ylmethyl)pyrazole,, AK-91882, BD230055, KB-39258, A-5287, I14-25457

Molecular Formula:	C₉H₈IN₃	Molecular Weight:	285.084390 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: CYDDDZSHUDUZPN-UHFFFAOYSA-N