Vitas-M small molecule compound
4-(2-{(E)-[1-(4-ethylphenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-1H-pyrrol-1-yl)benzoic acid
Catalog ID
STK190110
SMILES CCc1ccc(cc1)N1C(=S)NC(=O)/C(=C\c2cccn2c2ccc(cc2)C(=O)O)/C1=O
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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 C24H19N3O4S MW 445.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H19N3O4S/c1-2-15-5-9-18(10-6-15)27-22(29)20(21(28)25-24(27)32)14-19-4-3-13-26(19)17-11-7-16(8-12-17)23(30)31/h3-14H,2H2,1H3,(H,30,31)(H,25,28,32)/b20-14+InChIKey
DFBWJMOUHMTVAA-XSFVSMFZSA-NSynonyms
4(2((E)(1(4ethylphenyl)46dioxo2sulfanylidene13diazinan5ylidene)methyl)pyrrol1yl)benzoicacid
4(2((E)(1(4ETHYLPHENYL)46DIOXO2THIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)1HPYRROL1YL)BENZOICACID
CCC1=CC=C(C=C1)N2C(=O)C(=CC3=CC=CN3C4=CC=C(C=C4)C(=O)O)C(=O)NC2=S
CCc1ccc(cc1)N1C(=S)NC(=O)C(=Cc2cccn2c2ccc(cc2)C(=O)O)C1=O
InChI=1SC24H19N3O4Sc12155918(10615)2722(29)20(21(28)2524(27)32)1419431326(19)1711716(81217)23(30)31h314H2H21H3(H3031)(H252832)b2014+
MFCD03729296
ZINC000009908220
ZINC9908220
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Check stock on Vitas-MAvailable files
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