Vitas-M small molecule compound
ethyl 2-{(3E)-3-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-4,5-dioxo-2-[3-(pentyloxy)phenyl]pyrrolidin-1-yl}-4-methyl-1,3-thiazole-5-carboxylate
Catalog ID
STL053265
SMILES CCCCCOc1cccc(c1)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 C32H34N2O7S MW 590.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H34N2O7S/c1-5-7-8-14-40-23-11-9-10-20(17-23)26-25(27(35)21-12-13-24-22(16-21)15-18(3)41-24)28(36)30(37)34(26)32-33-19(4)29(42-32)31(38)39-6-2/h9-13,16-18,26,35H,5-8,14-15H2,1-4H3/b27-25+InChIKey
WNAFSJGAXLMZIV-IMVLJIQESA-NSynonyms
893699-41-7893699417
CCCCCOC1=CC=CC(=C1)C2C(=C(C3=CC4=C(C=C3)OC(C4)C)O)C(=O)C(=O)N2C5=NC(=C(S5)C(=O)OCC)C
CCCCCOc1cccc(c1)C1C(=C(c2ccc3c(c2)CC(O3)C)O)C(=O)C(=O)N1c1sc(c(n1)C)C(=O)OCC
ethyl2((3E)3(hydroxy(2methyl23dihydro1benzofuran5yl)methylidene)45dioxo2(3(pentyloxy)phenyl)pyrrolidin1yl)4methyl13thiazole5carboxylate
ETHYL2((4E)4(HYDROXY(2METHYL23DIHYDRO1BENZOFURAN5YL)METHYLIDENE)23DIOXO5(3PENTOXYPHENYL)PYRROLIDIN1YL)4METHYL13THIAZOLE5CARBOXYLATE
InChI=1SC32H34N2O7Sc15781440231191020(1723)2625(27(35)2112132422(1621)1518(3)4124)28(36)30(37)34(26)323319(4)29(4232)31(38)3962h91316182635H581415H214H3b2725+
MFCD05731302
ZINC000102893112
ZINC000102893118
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.