Vitas-M small molecule compound

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

Catalog ID
STK607856
SMILES COc1ccc(c(c1)C)/C(=C\1/C(c2ccc(cc2)O)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 C25H22N2O7S MW 494.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22N2O7S/c1-12-11-16(33-3)9-10-17(12)20(29)18-19(14-5-7-15(28)8-6-14)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
BLCYPBGZJZXAQB-CZIZESTLSA-N
Synonyms
497079-18-2
497079182
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)O)O
COc1ccc(c(c1)C)C(=C1C(c2ccc(cc2)O)N(C(=O)C1=O)c1sc(c(n1)C)C(=O)OC)O
InChI=1SC25H22N2O7Sc1121116(333)91017(12)20(29)1819(145715(28)8614)27(23(31)21(18)30)252613(2)22(3525)24(32)344h511192829H14H3b2018+
methyl2((3E)3(hydroxy(4methoxy2methylphenyl)methylidene)2(4hydroxyphenyl)45dioxopyrrolidin1yl)4methyl13thiazole5carboxylate
METHYL2(3HYDROXY5(4HYDROXYPHENYL)4((4METHOXY2METHYLPHENYL)CARBONYL)2OXO(3PYRROLINYL))4METHYL13THIAZOLE5CARBOXYLATE
MFCD08731667
ZINC000102703505
ZINC000102703509

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Available files

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