Vitas-M small molecule compound
4-[(3-fluoro-4-methylphenyl)carbonyl]-3-hydroxy-1-{5-[(naphthalen-1-ylmethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-5-(3-nitrophenyl)-1,5-dihydro-2H-pyrrol-2-one
Catalog ID
STK801136
SMILES O=C(C1=C(O)C(=O)N(C1c1cccc(c1)[N+](=O)[O-])c1nnc(s1)SCc1cccc2c1cccc2)c1ccc(c(c1)F)C
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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 C31H21FN4O5S2 MW 612.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H21FN4O5S2/c1-17-12-13-20(15-24(17)32)27(37)25-26(19-8-5-10-22(14-19)36(40)41)35(29(39)28(25)38)30-33-34-31(43-30)42-16-21-9-4-7-18-6-2-3-11-23(18)21/h2-15,26,38H,16H2,1H3InChIKey
UMQRQJREORCZEH-UHFFFAOYSA-NSynonyms
4((3fluoro4methylphenyl)carbonyl)3hydroxy1(5((naphthalen1ylmethyl)sulfanyl)134thiadiazol2yl)5(3nitrophenyl)15dihydro2Hpyrrol2one
MFCD06642957
O=C(C1=C(O)C(=O)N(C1c1cccc(c1)(N+)(=O)(O))c1nnc(s1)SCc1cccc2c1cccc2)c1ccc(c(c1)F)C
ZINC000098047241
ZINC000098047242
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