Vitas-M small molecule compound

methyl 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
STL041419
SMILES COC(=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 C34H32N2O9S MW 644.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H32N2O9S/c1-18-14-21(12-13-23(18)45-17-20-10-8-7-9-11-20)28(37)26-27(22-15-24(41-3)30(43-5)25(16-22)42-4)36(32(39)29(26)38)34-35-19(2)31(46-34)33(40)44-6/h7-16,27,37H,17H2,1-6H3/b28-26+
InChIKey
NOTAMKLKMUQBEA-BYCLXTJYSA-N
Synonyms

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)OC)OC)OC)O)OCC5=CC=CC=C5
COC(=O)c1sc(nc1C)N1C(c2cc(OC)c(c(c2)OC)OC)C(=C(c2ccc(c(c2)C)OCc2ccccc2)O)C(=O)C1=O
InChI=1SC34H32N2O9Sc1181421(121323(18)451720108791120)28(37)2627(221524(413)30(435)25(1622)424)36(32(39)29(26)38)343519(2)31(4634)33(40)446h7162737H17H216H3b2826+
methyl2((3E)3((4(benzyloxy)3methylphenyl)(hydroxy)methylidene)45dioxo2(345trimethoxyphenyl)pyrrolidin1yl)4methyl13thiazole5carboxylate
METHYL2((4E)4(HYDROXY(3METHYL4PHENYLMETHOXYPHENYL)METHYLIDENE)23DIOXO5(345TRIMETHOXYPHENYL)PYRROLIDIN1YL)4METHYL13THIAZOLE5CARBOXYLATE
MFCD05727003
ZINC000150445614
ZINC000150445616

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.