Vitas-M small molecule compound
methyl 2-{(3E)-2-(2,5-dimethoxyphenyl)-3-[hydroxy(3-methoxyphenyl)methylidene]-4,5-dioxopyrrolidin-1-yl}-4-methyl-1,3-thiazole-5-carboxylate
Catalog ID
STK601546
SMILES COc1ccc(c(c1)C1/C(=C(/c2cccc(c2)OC)\O)/C(=O)C(=O)N1c1sc(c(n1)C)C(=O)OC)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 C26H24N2O8S MW 524.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H24N2O8S/c1-13-23(25(32)36-5)37-26(27-13)28-20(17-12-16(34-3)9-10-18(17)35-4)19(22(30)24(28)31)21(29)14-7-6-8-15(11-14)33-2/h6-12,20,29H,1-5H3/b21-19+InChIKey
NIMINMSPHOFTKG-XUTLUUPISA-NSynonyms
618417-05-3618417053
CC1=C(SC(=N1)N2C(C(=C(C3=CC(=CC=C3)OC)O)C(=O)C2=O)C4=C(C=CC(=C4)OC)OC)C(=O)OC
COc1ccc(c(c1)C1C(=C(c2cccc(c2)OC)O)C(=O)C(=O)N1c1sc(c(n1)C)C(=O)OC)OC
InChI=1SC26H24N2O8Sc11323(25(32)365)3726(2713)2820(171216(343)91018(17)354)19(22(30)24(28)31)21(29)1476815(1114)332h6122029H15H3b2119+
methyl2((3E)2(25dimethoxyphenyl)3(hydroxy(3methoxyphenyl)methylidene)45dioxopyrrolidin1yl)4methyl13thiazole5carboxylate
METHYL2(5(25DIMETHOXYPHENYL)3HYDROXY4((3METHOXYPHENYL)CARBONYL)2OXO(3PYRROLINYL))4METHYL13THIAZOLE5CARBOXYLATE
MFCD08736809
ZINC000102691707
ZINC000102691712
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