Vitas-M small molecule compound
4-(2-{(Z)-[1-(4-fluorophenyl)-4,6-dioxo-2-sulfanyl-1,6-dihydropyrimidin-5(4H)-ylidene]methyl}-1H-pyrrol-1-yl)benzoic acid
Catalog ID
STL056789
SMILES Fc1ccc(cc1)N1C(=NC(=O)/C(=C/c2cccn2c2ccc(cc2)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 C22H14FN3O4S MW 435.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H14FN3O4S/c23-14-5-9-16(10-6-14)26-20(28)18(19(27)24-22(26)31)12-17-2-1-11-25(17)15-7-3-13(4-8-15)21(29)30/h1-12H,(H,29,30)(H,24,27,31)/b18-12-InChIKey
GNSZLFIBKBBJTB-PDGQHHTCSA-NSynonyms
500135-55-74(2((Z)(1(4fluorophenyl)46dioxo2sulfanyl16dihydropyrimidin5(4H)ylidene)methyl)1Hpyrrol1yl)benzoicacid
4(2((Z)(1(4FLUOROPHENYL)46DIOXO2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYL)PYRROL1YL)BENZOICACID
500135557
Fc1ccc(cc1)N1C(=NC(=O)C(=Cc2cccn2c2ccc(cc2)C(=O)O)C1=O)S
InChI=1SC22H14FN3O4Sc23145916(10614)2620(28)18(19(27)2422(26)31)1217211125(17)157313(4815)21(29)30h112H(H2930)(H242731)b1812
MFCD05725339
ZINC000002366067
ZINC2366067
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