Vitas-M small molecule compound

methyl 2-{(3E)-2-(4-fluorophenyl)-3-[hydroxy(4-methoxy-3-methylphenyl)methylidene]-4,5-dioxopyrrolidin-1-yl}-4-methyl-1,3-thiazole-5-carboxylate

Catalog ID
STK846592
SMILES COC(=O)c1sc(nc1C)N1C(=O)C(=O)/C(=C(\c2ccc(c(c2)C)OC)/O)/C1c1ccc(cc1)F

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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/c1-12-11-15(7-10-17(12)33-3)20(29)18-19(14-5-8-16(26)9-6-14)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
BKEBQMLOEUAVJD-CZIZESTLSA-N
Synonyms
433257-63-7
433257637
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)F)O)OC
COC(=O)c1sc(nc1C)N1C(=O)C(=O)C(=C(c2ccc(c(c2)C)OC)O)C1c1ccc(cc1)F
InChI=1SC25H21FN2O6Sc1121115(71017(12)333)20(29)1819(145816(26)9614)28(23(31)21(18)30)252713(2)22(3525)24(32)344h5111929H14H3b2018+
methyl2((3E)2(4fluorophenyl)3(hydroxy(4methoxy3methylphenyl)methylidene)45dioxopyrrolidin1yl)4methyl13thiazole5carboxylate
MFCD03802166
ZINC000102799244
ZINC000102799246

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Available files

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