Vitas-M small molecule compound
ethyl 2-{(3E)-2-[3-ethoxy-4-(pentyloxy)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
STK595277
SMILES CCCCCOc1ccc(cc1OCC)C1/C(=C(/c2ccc3c(c2)CC(O3)C)\O)/C(=O)C(=O)N1c1sc(c(n1)C)C(=O)OCC
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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 C34H38N2O8S MW 634.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H38N2O8S/c1-6-9-10-15-43-25-14-11-21(18-26(25)41-7-2)28-27(29(37)22-12-13-24-23(17-22)16-19(4)44-24)30(38)32(39)36(28)34-35-20(5)31(45-34)33(40)42-8-3/h11-14,17-19,28,37H,6-10,15-16H2,1-5H3/b29-27+InChIKey
OCIPVPXTHYZOLQ-ORIPQNMZSA-NSynonyms
897836-25-8897836258
CCCCCOC1=C(C=C(C=C1)C2C(=C(C3=CC4=C(C=C3)OC(C4)C)O)C(=O)C(=O)N2C5=NC(=C(S5)C(=O)OCC)C)OCC
CCCCCOc1ccc(cc1OCC)C1C(=C(c2ccc3c(c2)CC(O3)C)O)C(=O)C(=O)N1c1sc(c(n1)C)C(=O)OCC
ethyl2((3E)2(3ethoxy4(pentyloxy)phenyl)3(hydroxy(2methyl23dihydro1benzofuran5yl)methylidene)45dioxopyrrolidin1yl)4methyl13thiazole5carboxylate
ethyl2((3E)2(3ethoxy4pentoxyphenyl)3(hydroxy(2methyl23dihydro1benzofuran5yl)methylidene)45dioxopyrrolidin1yl)4methyl13thiazole5carboxylate
InChI=1SC34H38N2O8Sc16910154325141121(1826(25)4172)2827(29(37)2212132423(1722)1619(4)4424)30(38)32(39)36(28)343520(5)31(4534)33(40)4283h111417192837H6101516H215H3b2927+
MFCD07199633
ZINC000102617416
ZINC000102677687
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.