Vitas-M small molecule compound
methyl 2-[(3E)-2-(4-chlorophenyl)-3-{hydroxy[3-methyl-4-(propan-2-yloxy)phenyl]methylidene}-4,5-dioxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
Catalog ID
STK560177
SMILES COC(=O)c1sc(nc1C)N1C(=O)C(=O)/C(=C(\c2ccc(c(c2)C)OC(C)C)/O)/C1c1ccc(cc1)Cl
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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 C27H25ClN2O6S MW 541.02 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25ClN2O6S/c1-13(2)36-19-11-8-17(12-14(19)3)22(31)20-21(16-6-9-18(28)10-7-16)30(25(33)23(20)32)27-29-15(4)24(37-27)26(34)35-5/h6-13,21,31H,1-5H3/b22-20+InChIKey
GAPRIEXLSQFQNH-LSDHQDQOSA-NSynonyms
384377-09-7384377097
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)Cl)O)OC(C)C
COC(=O)c1sc(nc1C)N1C(=O)C(=O)C(=C(c2ccc(c(c2)C)OC(C)C)O)C1c1ccc(cc1)Cl
InChI=1SC27H25ClN2O6Sc113(2)361911817(1214(19)3)22(31)2021(166918(28)10716)30(25(33)23(20)32)272915(4)24(3727)26(34)355h6132131H15H3b2220+
methyl2((3E)2(4chlorophenyl)3(hydroxy(3methyl4(propan2yloxy)phenyl)methylidene)45dioxopyrrolidin1yl)4methyl13thiazole5carboxylate
METHYL2((3E)2(4CHLOROPHENYL)3(HYDROXY(3METHYL4PROPAN2YLOXYPHENYL)METHYLIDENE)45DIOXOPYRROLIDIN1YL)4METHYL13THIAZOLE5CARBOXYLATE
MFCD04078435
ZINC000102493629
ZINC000102493639
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.