Vitas-M small molecule compound
methyl 2-{(3E)-2-(4-tert-butylphenyl)-3-[hydroxy(4-methoxy-3-methylphenyl)methylidene]-4,5-dioxopyrrolidin-1-yl}-4-methyl-1,3-thiazole-5-carboxylate
Catalog ID
STL038552
SMILES COC(=O)c1sc(nc1C)N1C(=O)C(=O)/C(=C(\c2ccc(c(c2)C)OC)/O)/C1c1ccc(cc1)C(C)(C)C
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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 C29H30N2O6S MW 534.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H30N2O6S/c1-15-14-18(10-13-20(15)36-6)23(32)21-22(17-8-11-19(12-9-17)29(3,4)5)31(26(34)24(21)33)28-30-16(2)25(38-28)27(35)37-7/h8-14,22,32H,1-7H3/b23-21+InChIKey
BJQQYRAVGSJASN-XTQSDGFTSA-NSynonyms
488709-51-9488709519
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)C(C)(C)C)O)OC
COC(=O)c1sc(nc1C)N1C(=O)C(=O)C(=C(c2ccc(c(c2)C)OC)O)C1c1ccc(cc1)C(C)(C)C
InChI=1SC29H30N2O6Sc1151418(101320(15)366)23(32)2122(1781119(12917)29(34)5)31(26(34)24(21)33)283016(2)25(3828)27(35)377h8142232H17H3b2321+
methyl2((3E)2(4tertbutylphenyl)3(hydroxy(4methoxy3methylphenyl)methylidene)45dioxopyrrolidin1yl)4methyl13thiazole5carboxylate
MFCD03816938
ZINC000102860723
ZINC000102860727
Check stock
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