Vitas-M small molecule compound
3-(2-{(Z)-[1-(3-methylphenyl)-4,6-dioxo-2-sulfanyl-1,6-dihydropyrimidin-5(4H)-ylidene]methyl}-1H-pyrrol-1-yl)benzoic acid
Catalog ID
STL054947
SMILES Cc1cccc(c1)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 C23H17N3O4S MW 431.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H17N3O4S/c1-14-5-2-8-18(11-14)26-21(28)19(20(27)24-23(26)31)13-17-9-4-10-25(17)16-7-3-6-15(12-16)22(29)30/h2-13H,1H3,(H,29,30)(H,24,27,31)/b19-13-InChIKey
RKPDHNMMQZBGGG-UYRXBGFRSA-NSynonyms
666212-49-33(2((Z)(1(3methylphenyl)46dioxo2sulfanyl16dihydropyrimidin5(4H)ylidene)methyl)1Hpyrrol1yl)benzoicacid
3(2((Z)(1(3METHYLPHENYL)46DIOXO2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYL)PYRROL1YL)BENZOICACID
666212493
Cc1cccc(c1)N1C(=NC(=O)C(=Cc2cccn2c2cccc(c2)C(=O)O)C1=O)S
InChI=1SC23H17N3O4Sc11452818(1114)2621(28)19(20(27)2423(26)31)1317941025(17)1673615(1216)22(29)30h213H1H3(H2930)(H242731)b1913
MFCD05736615
ZINC000009260427
ZINC9260427
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