Vitas-M small molecule compound
methyl 2-{(3E)-2-(4-tert-butylphenyl)-3-[hydroxy(phenyl)methylidene]-4,5-dioxopyrrolidin-1-yl}-4-methyl-1,3-thiazole-5-carboxylate
Catalog ID
STK623921
SMILES COC(=O)c1sc(nc1C)N1C(=O)C(=O)/C(=C(\c2ccccc2)/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 C27H26N2O5S MW 490.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26N2O5S/c1-15-23(25(33)34-5)35-26(28-15)29-20(16-11-13-18(14-12-16)27(2,3)4)19(22(31)24(29)32)21(30)17-9-7-6-8-10-17/h6-14,20,30H,1-5H3/b21-19+InChIKey
CJRCJZXHDUKGAW-XUTLUUPISA-NSynonyms
371143-18-9371143189
CC1=C(SC(=N1)N2C(C(=C(C3=CC=CC=C3)O)C(=O)C2=O)C4=CC=C(C=C4)C(C)(C)C)C(=O)OC
COC(=O)c1sc(nc1C)N1C(=O)C(=O)C(=C(c2ccccc2)O)C1c1ccc(cc1)C(C)(C)C
InChI=1SC27H26N2O5Sc11523(25(33)345)3526(2815)2920(16111318(141216)27(23)4)19(22(31)24(29)32)21(30)1797681017h6142030H15H3b2119+
methyl2((3E)2(4tertbutylphenyl)3(hydroxy(phenyl)methylidene)45dioxopyrrolidin1yl)4methyl13thiazole5carboxylate
METHYL2(5(4(TERTBUTYL)PHENYL)3HYDROXY2OXO4(PHENYLCARBONYL)(3PYRROLINYL))4METHYL13THIAZOLE5CARBOXYLATE
MFCD09793187
ZINC000102725368
ZINC000102725370
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