Vitas-M small molecule compound

prop-2-en-1-yl 2-[(3E)-3-{[4-(benzyloxy)-3-methylphenyl](hydroxy)methylidene}-4,5-dioxo-2-(3,4,5-trimethoxyphenyl)pyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate

Catalog ID
STK569356
SMILES C=CCOC(=O)c1sc(nc1C)N1C(c2cc(OC)c(c(c2)OC)OC)/C(=C(/c2ccc(c(c2)C)OCc2ccccc2)\O)/C(=O)C1=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 C36H34N2O9S MW 670.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H34N2O9S/c1-7-15-46-35(42)33-21(3)37-36(48-33)38-29(24-17-26(43-4)32(45-6)27(18-24)44-5)28(31(40)34(38)41)30(39)23-13-14-25(20(2)16-23)47-19-22-11-9-8-10-12-22/h7-14,16-18,29,39H,1,15,19H2,2-6H3/b30-28+
InChIKey
VNPUIRGWYUCACF-SJCQXOIGSA-N
Synonyms

C=CCOC(=O)c1sc(nc1C)N1C(c2cc(OC)c(c(c2)OC)OC)C(=C(c2ccc(c(c2)C)OCc2ccccc2)O)C(=O)C1=O
CC1=C(C=CC(=C1)C(=C2C(N(C(=O)C2=O)C3=NC(=C(S3)C(=O)OCC=C)C)C4=CC(=C(C(=C4)OC)OC)OC)O)OCC5=CC=CC=C5
InChI=1SC36H34N2O9Sc17154635(42)3321(3)3736(4833)3829(241726(434)32(456)27(1824)445)28(31(40)34(38)41)30(39)23131425(20(2)1623)4719221198101222h71416182939H11519H226H3b3028+
MFCD05736509
prop2en1yl2((3E)3((4(benzyloxy)3methylphenyl)(hydroxy)methylidene)45dioxo2(345trimethoxyphenyl)pyrrolidin1yl)4methyl13thiazole5carboxylate
PROP2ENYL2((4E)4(HYDROXY(3METHYL4PHENYLMETHOXYPHENYL)METHYLIDENE)23DIOXO5(345TRIMETHOXYPHENYL)PYRROLIDIN1YL)4METHYL13THIAZOLE5CARBOXYLATE
ZINC000150463102
ZINC000150463107

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Available files

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