Vitas-M small molecule compound
methyl 2-{(3E)-2-(4-fluorophenyl)-3-[hydroxy(4-methoxy-2-methylphenyl)methylidene]-4,5-dioxopyrrolidin-1-yl}-4-methyl-1,3-thiazole-5-carboxylate
Catalog ID
STK845949
SMILES COc1ccc(c(c1)C)/C(=C\1/C(c2ccc(cc2)F)N(C(=O)C1=O)c1sc(c(n1)C)C(=O)OC)/O
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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/c1-12-11-16(33-3)9-10-17(12)20(29)18-19(14-5-7-15(26)8-6-14)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
KEXFSWCEPARGPT-CZIZESTLSA-NSynonyms
CC1=C(C=CC(=C1)OC)C(=C2C(N(C(=O)C2=O)C3=NC(=C(S3)C(=O)OC)C)C4=CC=C(C=C4)F)O
COc1ccc(c(c1)C)C(=C1C(c2ccc(cc2)F)N(C(=O)C1=O)c1sc(c(n1)C)C(=O)OC)O
InChI=1SC25H21FN2O6Sc1121116(333)91017(12)20(29)1819(145715(26)8614)28(23(31)21(18)30)252713(2)22(3525)24(32)344h5111929H14H3b2018+
methyl2((3E)2(4fluorophenyl)3(hydroxy(4methoxy2methylphenyl)methylidene)45dioxopyrrolidin1yl)4methyl13thiazole5carboxylate
MFCD03799561
ZINC000102798515
ZINC000102798516
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