Vitas-M small molecule compound
methyl 2-[(3E)-3-{[4-(benzyloxy)-2-methylphenyl](hydroxy)methylidene}-2-(3-ethoxy-4-hydroxyphenyl)-4,5-dioxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
Catalog ID
STK563185
SMILES CCOc1cc(ccc1O)C1N(c2nc(c(s2)C(=O)OC)C)C(=O)C(=O)/C/1=C(\c1ccc(cc1C)OCc1ccccc1)/O
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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 C33H30N2O8S MW 614.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H30N2O8S/c1-5-42-25-16-21(11-14-24(25)36)27-26(29(38)31(39)35(27)33-34-19(3)30(44-33)32(40)41-4)28(37)23-13-12-22(15-18(23)2)43-17-20-9-7-6-8-10-20/h6-16,27,36-37H,5,17H2,1-4H3/b28-26+InChIKey
WMQGRYQVOACUQP-BYCLXTJYSA-NSynonyms
CCOC1=C(C=CC(=C1)C2C(=C(C3=C(C=C(C=C3)OCC4=CC=CC=C4)C)O)C(=O)C(=O)N2C5=NC(=C(S5)C(=O)OC)C)O
CCOc1cc(ccc1O)C1N(c2nc(c(s2)C(=O)OC)C)C(=O)C(=O)C1=C(c1ccc(cc1C)OCc1ccccc1)O
InChI=1SC33H30N2O8Sc1542251621(111424(25)36)2726(29(38)31(39)35(27)333419(3)30(4433)32(40)414)28(37)23131222(1518(23)2)43172097681020h616273637H517H214H3b2826+
METHYL2((3E)2(3ETHOXY4HYDROXYPHENYL)3(HYDROXY(2METHYL4PHENYLMETHOXYPHENYL)METHYLIDENE)45DIOXOPYRROLIDIN1YL)4METHYL13THIAZOLE5CARBOXYLATE
methyl2((3E)3((4(benzyloxy)2methylphenyl)(hydroxy)methylidene)2(3ethoxy4hydroxyphenyl)45dioxopyrrolidin1yl)4methyl13thiazole5carboxylate
MFCD04076666
ZINC000102518434
ZINC000102518447
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.