Vitas-M small molecule compound
ethyl 2-[(3E)-3-{[4-(benzyloxy)-3-methylphenyl](hydroxy)methylidene}-4,5-dioxo-2-(3-phenoxyphenyl)pyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
Catalog ID
STL042264
SMILES CCOC(=O)c1sc(nc1C)N1C(=O)C(=O)/C(=C(\c2ccc(c(c2)C)OCc2ccccc2)/O)/C1c1cccc(c1)Oc1ccccc1
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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 C38H32N2O7S MW 660.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C38H32N2O7S/c1-4-45-37(44)35-24(3)39-38(48-35)40-32(26-14-11-17-29(21-26)47-28-15-9-6-10-16-28)31(34(42)36(40)43)33(41)27-18-19-30(23(2)20-27)46-22-25-12-7-5-8-13-25/h5-21,32,41H,4,22H2,1-3H3/b33-31+InChIKey
QNKVXJFXHSPHSA-QOSDPKFLSA-NSynonyms
CCOC(=O)C1=C(N=C(S1)N2C(C(=C(C3=CC(=C(C=C3)OCC4=CC=CC=C4)C)O)C(=O)C2=O)C5=CC(=CC=C5)OC6=CC=CC=C6)C
CCOC(=O)c1sc(nc1C)N1C(=O)C(=O)C(=C(c2ccc(c(c2)C)OCc2ccccc2)O)C1c1cccc(c1)Oc1ccccc1
ethyl2((3E)3((4(benzyloxy)3methylphenyl)(hydroxy)methylidene)45dioxo2(3phenoxyphenyl)pyrrolidin1yl)4methyl13thiazole5carboxylate
ETHYL2((4E)4(HYDROXY(3METHYL4PHENYLMETHOXYPHENYL)METHYLIDENE)23DIOXO5(3PHENOXYPHENYL)PYRROLIDIN1YL)4METHYL13THIAZOLE5CARBOXYLATE
InChI=1SC38H32N2O7Sc144537(44)3524(3)3938(4835)4032(2614111729(2126)47281596101628)31(34(42)36(40)43)33(41)27181930(23(2)2027)462225127581325h5213241H422H213H3b3331+
MFCD05729094
ZINC000150445108
ZINC000150445111
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.