Vitas-M small molecule compound
methyl 2-{(3E)-2-(2,3-dimethoxyphenyl)-3-[hydroxy(4-methoxy-2-methylphenyl)methylidene]-4,5-dioxopyrrolidin-1-yl}-4-methyl-1,3-thiazole-5-carboxylate
Catalog ID
STK615558
SMILES COc1ccc(c(c1)C)/C(=C/1\C(=O)C(=O)N(C1c1cccc(c1OC)OC)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 C27H26N2O8S MW 538.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26N2O8S/c1-13-12-15(34-3)10-11-16(13)21(30)19-20(17-8-7-9-18(35-4)23(17)36-5)29(25(32)22(19)31)27-28-14(2)24(38-27)26(33)37-6/h7-12,20,30H,1-6H3/b21-19+InChIKey
HUVYUYQRGBWRHN-XUTLUUPISA-NSynonyms
497247-48-0497247480
CC1=C(C=CC(=C1)OC)C(=C2C(N(C(=O)C2=O)C3=NC(=C(S3)C(=O)OC)C)C4=C(C(=CC=C4)OC)OC)O
COc1ccc(c(c1)C)C(=C1C(=O)C(=O)N(C1c1cccc(c1OC)OC)c1sc(c(n1)C)C(=O)OC)O
InChI=1SC27H26N2O8Sc1131215(343)101116(13)21(30)1920(1787918(354)23(17)365)29(25(32)22(19)31)272814(2)24(3827)26(33)376h7122030H16H3b2119+
methyl2((3E)2(23dimethoxyphenyl)3(hydroxy(4methoxy2methylphenyl)methylidene)45dioxopyrrolidin1yl)4methyl13thiazole5carboxylate
MFCD08733651
ZINC000102713863
ZINC000102713866
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