Vitas-M small molecule compound
methyl 2-{(3E)-2-(2-fluorophenyl)-3-[hydroxy(4-methoxy-3-methylphenyl)methylidene]-4,5-dioxopyrrolidin-1-yl}-4-methyl-1,3-thiazole-5-carboxylate
Catalog ID
STL147572
SMILES COC(=O)c1sc(nc1C)N1C(=O)C(=O)/C(=C(\c2ccc(c(c2)C)OC)/O)/C1c1ccccc1F
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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 C25H21FN2O6S MW 496.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21FN2O6S/c1-12-11-14(9-10-17(12)33-3)20(29)18-19(15-7-5-6-8-16(15)26)28(23(31)21(18)30)25-27-13(2)22(35-25)24(32)34-4/h5-11,19,29H,1-4H3/b20-18+InChIKey
PNMPUQBLQUMTND-CZIZESTLSA-NSynonyms
636987-97-8636987978
CC1=C(C=CC(=C1)C(=C2C(N(C(=O)C2=O)C3=NC(=C(S3)C(=O)OC)C)C4=CC=CC=C4F)O)OC
COC(=O)c1sc(nc1C)N1C(=O)C(=O)C(=C(c2ccc(c(c2)C)OC)O)C1c1ccccc1F
InChI=1SC25H21FN2O6Sc1121114(91017(12)333)20(29)1819(15756816(15)26)28(23(31)21(18)30)252713(2)22(3525)24(32)344h5111929H14H3b2018+
methyl2((3E)2(2fluorophenyl)3(hydroxy(4methoxy3methylphenyl)methylidene)45dioxopyrrolidin1yl)4methyl13thiazole5carboxylate
METHYL2(5(2FLUOROPHENYL)3HYDROXY4((4METHOXY3METHYLPHENYL)CARBONYL)2OXO(3PYRROLINYL))4METHYL13THIAZOLE5CARBOXYLATE
MFCD03796595
ZINC000102925516
ZINC000102925519
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