Vitas-M small molecule compound
methyl 2-{(3E)-2-(4-tert-butylphenyl)-3-[hydroxy(3-methoxyphenyl)methylidene]-4,5-dioxopyrrolidin-1-yl}-4-methyl-1,3-thiazole-5-carboxylate
Catalog ID
STK615535
SMILES COc1cccc(c1)/C(=C\1/C(c2ccc(cc2)C(C)(C)C)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 C28H28N2O6S MW 520.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H28N2O6S/c1-15-24(26(34)36-6)37-27(29-15)30-21(16-10-12-18(13-11-16)28(2,3)4)20(23(32)25(30)33)22(31)17-8-7-9-19(14-17)35-5/h7-14,21,31H,1-6H3/b22-20+InChIKey
NMGMGQITZAPGPR-LSDHQDQOSA-NSynonyms
608510-15-2608510152
CC1=C(SC(=N1)N2C(C(=C(C3=CC(=CC=C3)OC)O)C(=O)C2=O)C4=CC=C(C=C4)C(C)(C)C)C(=O)OC
COc1cccc(c1)C(=C1C(c2ccc(cc2)C(C)(C)C)N(C(=O)C1=O)c1sc(c(n1)C)C(=O)OC)O
InChI=1SC28H28N2O6Sc11524(26(34)366)3727(2915)3021(16101218(131116)28(23)4)20(23(32)25(30)33)22(31)1787919(1417)355h7142131H16H3b2220+
methyl2((3E)2(4tertbutylphenyl)3(hydroxy(3methoxyphenyl)methylidene)45dioxopyrrolidin1yl)4methyl13thiazole5carboxylate
METHYL2(5(4(TERTBUTYL)PHENYL)3HYDROXY4((3METHOXYPHENYL)CARBONYL)2OXO(3PYRROLINYL))4METHYL13THIAZOLE5CARBOXYLATE
MFCD08737332
ZINC000102714014
ZINC000102714016
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