Vitas-M small molecule compound
3-(2-{(Z)-[1-(4-ethylphenyl)-4,6-dioxo-2-sulfanyl-1,6-dihydropyrimidin-5(4H)-ylidene]methyl}-1H-pyrrol-1-yl)benzoic acid
Catalog ID
STK568907
SMILES CCc1ccc(cc1)N1C(=NC(=O)/C(=C/c2cccn2c2cccc(c2)C(=O)O)/C1=O)S
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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/c1-2-15-8-10-17(11-9-15)27-22(29)20(21(28)25-24(27)32)14-19-7-4-12-26(19)18-6-3-5-16(13-18)23(30)31/h3-14H,2H2,1H3,(H,30,31)(H,25,28,32)/b20-14-InChIKey
FCYLJPRAVNHJGG-ZHZULCJRSA-NSynonyms
587010-23-93(2((Z)(1(4ethylphenyl)46dioxo2sulfanyl16dihydropyrimidin5(4H)ylidene)methyl)1Hpyrrol1yl)benzoicacid
3(2((Z)(1(4ETHYLPHENYL)46DIOXO2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYL)PYRROL1YL)BENZOICACID
587010239
CCc1ccc(cc1)N1C(=NC(=O)C(=Cc2cccn2c2cccc(c2)C(=O)O)C1=O)S
InChI=1SC24H19N3O4Sc121581017(11915)2722(29)20(21(28)2524(27)32)1419741226(19)1863516(1318)23(30)31h314H2H21H3(H3031)(H252832)b2014
MFCD05728064
ZINC000020332891
ZINC20332891
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