Vitas-M small molecule compound
methyl 2-[(3E)-3-[hydroxy(4-methoxy-3-methylphenyl)methylidene]-2-(4-hydroxyphenyl)-4,5-dioxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
Catalog ID
STK544110
SMILES COC(=O)c1sc(nc1C)N1C(=O)C(=O)/C(=C(\c2ccc(c(c2)C)OC)/O)/C1c1ccc(cc1)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 C25H22N2O7S MW 494.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22N2O7S/c1-12-11-15(7-10-17(12)33-3)20(29)18-19(14-5-8-16(28)9-6-14)27(23(31)21(18)30)25-26-13(2)22(35-25)24(32)34-4/h5-11,19,28-29H,1-4H3/b20-18+InChIKey
FODJWFAJLLGZDF-CZIZESTLSA-NSynonyms
CC1=C(C=CC(=C1)C(=C2C(N(C(=O)C2=O)C3=NC(=C(S3)C(=O)OC)C)C4=CC=C(C=C4)O)O)OC
COC(=O)c1sc(nc1C)N1C(=O)C(=O)C(=C(c2ccc(c(c2)C)OC)O)C1c1ccc(cc1)O
InChI=1SC25H22N2O7Sc1121115(71017(12)333)20(29)1819(145816(28)9614)27(23(31)21(18)30)252613(2)22(3525)24(32)344h511192829H14H3b2018+
methyl2((3E)3(hydroxy(4methoxy3methylphenyl)methylidene)2(4hydroxyphenyl)45dioxopyrrolidin1yl)4methyl13thiazole5carboxylate
MFCD09792695
ZINC000102437346
ZINC000102437350
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