Vitas-M small molecule compound

4-{3-[(4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}-3-methylbenzoic acid

Catalog ID
STK036325
SMILES S=C1NC(=O)C(=Cc2cc(n(c2C)c2ccc(cc2C)C(=O)O)C)C(=O)N1

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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 C19H17N3O4S MW 383.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H17N3O4S/c1-9-6-12(18(25)26)4-5-15(9)22-10(2)7-13(11(22)3)8-14-16(23)20-19(27)21-17(14)24/h4-8H,1-3H3,(H,25,26)(H2,20,21,23,24,27)
InChIKey
GOTRRVUGDGBRKG-UHFFFAOYSA-N
Synonyms
443298-34-8
4(3((46DIOXO2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYL)25DIMETHYLPYRROL1YL)3METHYLBENZOICACID
4(3((46DIOXO2THIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)25DIMETHYL1HPYRROL1YL)3METHYLBENZOICACID
443298348
CC1=CC(=C(N1C2=C(C=C(C=C2)C(=O)O)C)C)C=C3C(=O)NC(=S)NC3=O
InChI=1SC19H17N3O4Sc19612(18(25)26)4515(9)2210(2)713(11(22)3)81416(23)2019(27)2117(14)24h48H13H3(H2526)(H22021232427)
MFCD03080068
S=C1NC(=O)C(=Cc2cc(n(c2C)c2ccc(cc2C)C(=O)O)C)C(=O)N1
STK036325
ZINC000002736178
ZINC2736178

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Available files

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