Vitas-M small molecule compound
methyl 2-{(3E)-2-[3-(benzyloxy)phenyl]-3-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-4,5-dioxopyrrolidin-1-yl}-4-methyl-1,3-thiazole-5-carboxylate
Catalog ID
STK567396
SMILES COC(=O)c1sc(nc1C)N1C(=O)C(=O)/C(=C(\c2ccc3c(c2)CC(O3)C)/O)/C1c1cccc(c1)OCc1ccccc1
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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 C33H28N2O7S MW 596.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H28N2O7S/c1-18-14-23-15-22(12-13-25(23)42-18)28(36)26-27(21-10-7-11-24(16-21)41-17-20-8-5-4-6-9-20)35(31(38)29(26)37)33-34-19(2)30(43-33)32(39)40-3/h4-13,15-16,18,27,36H,14,17H2,1-3H3/b28-26+InChIKey
ZVUXVOHNCRCTPF-BYCLXTJYSA-NSynonyms
1203030-03-81203030038
CC1CC2=C(O1)C=CC(=C2)C(=C3C(N(C(=O)C3=O)C4=NC(=C(S4)C(=O)OC)C)C5=CC(=CC=C5)OCC6=CC=CC=C6)O
COC(=O)c1sc(nc1C)N1C(=O)C(=O)C(=C(c2ccc3c(c2)CC(O3)C)O)C1c1cccc(c1)OCc1ccccc1
InChI=1SC33H28N2O7Sc11814231522(121325(23)4218)28(36)2627(211071124(1621)4117208546920)35(31(38)29(26)37)333419(2)30(4333)32(39)403h4131516182736H1417H213H3b2826+
methyl2((3E)2(3(benzyloxy)phenyl)3(hydroxy(2methyl23dihydro1benzofuran5yl)methylidene)45dioxopyrrolidin1yl)4methyl13thiazole5carboxylate
METHYL2((4E)4(HYDROXY(2METHYL23DIHYDRO1BENZOFURAN5YL)METHYLIDENE)23DIOXO5(3PHENYLMETHOXYPHENYL)PYRROLIDIN1YL)4METHYL13THIAZOLE5CARBOXYLATE
MFCD05728845
ZINC000102547266
ZINC000102651494
Check stock
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Check stock on Vitas-MAvailable files
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