Vitas-M small molecule compound

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

Catalog ID
STK561369
SMILES COc1c(OC)cc(cc1OC)C1/C(=C(/c2ccc(c(c2)C)OC)\O)/C(=O)C(=O)N1c1sc(c(n1)C)C(=O)OC

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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 C28H28N2O9S MW 568.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H28N2O9S/c1-13-10-15(8-9-17(13)35-3)22(31)20-21(16-11-18(36-4)24(38-6)19(12-16)37-5)30(26(33)23(20)32)28-29-14(2)25(40-28)27(34)39-7/h8-12,21,31H,1-7H3/b22-20+
InChIKey
MDCOEKNMPZANTR-LSDHQDQOSA-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)OC
COc1c(OC)cc(cc1OC)C1C(=C(c2ccc(c(c2)C)OC)O)C(=O)C(=O)N1c1sc(c(n1)C)C(=O)OC
InChI=1SC28H28N2O9Sc1131015(8917(13)353)22(31)2021(161118(364)24(386)19(1216)375)30(26(33)23(20)32)282914(2)25(4028)27(34)397h8122131H17H3b2220+
methyl2((3E)3(hydroxy(4methoxy3methylphenyl)methylidene)45dioxo2(345trimethoxyphenyl)pyrrolidin1yl)4methyl13thiazole5carboxylate
METHYL2((4E)4(HYDROXY(4METHOXY3METHYLPHENYL)METHYLIDENE)23DIOXO5(345TRIMETHOXYPHENYL)PYRROLIDIN1YL)4METHYL13THIAZOLE5CARBOXYLATE
MFCD03801764
ZINC000102503430
ZINC000102503438

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Available files

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