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(3-{(E)-[1-(3-chloro-2-methylphenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-1H-indol-1-yl)acetic acid

Catalog ID
STK076481
SMILES OC(=O)Cn1cc(c2c1cccc2)/C=C/1\C(=O)NC(=S)N(C1=O)c1cccc(c1C)Cl

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C22H16ClN3O4S MW 453.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H16ClN3O4S/c1-12-16(23)6-4-8-17(12)26-21(30)15(20(29)24-22(26)31)9-13-10-25(11-19(27)28)18-7-3-2-5-14(13)18/h2-10H,11H2,1H3,(H,27,28)(H,24,29,31)/b15-9+
InChIKey
OBMXAQGZCSXHJL-OQLLNIDSSA-N
Synonyms
591209-93-7
(3((1(3CHLORO2METHYLPHENYL)46DIOXO2THIOXOTETRAHYDRO5(2H)PYRIMIDINYLIDENE)METHYL)1HINDOL1YL)ACETICACID
(3((E)(1(3CHLORO2METHYLPHENYL)46DIOXO2SULFANYL16DIHYDROPYRIMIDIN5(4H)YLIDENE)METHYL)1HINDOL1YL)ACETICACID
(3((E)(1(3CHLORO2METHYLPHENYL)46DIOXO2THIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)1HINDOL1YL)ACETICACID
(E)2(3((1(3chloro2methylphenyl)46dioxo2thioxotetrahydropyrimidin5(2H)ylidene)methyl)1Hindol1yl)aceticacid
2(3((E)(1(3CHLORO2METHYLPHENYL)46DIOXO2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYL)INDOL1YL)ACETICACID
CC1=C(C=CC=C1Cl)N2C(=O)C(=CC3=CN(C4=CC=CC=C43)CC(=O)O)C(=O)NC2=S
InChI=1SC22H16ClN3O4Sc11216(23)64817(12)2621(30)15(20(29)2422(26)31)9131025(1119(27)28)18732514(13)18h210H11H21H3(H2728)(H242931)b159+
MFCD04006907
OC(=O)Cn1cc(c2c1cccc2)C=C1C(=O)NC(=S)N(C1=O)c1cccc(c1C)Cl
STK076481
ZINC000002264115
ZINC2264115

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Available files

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