Vitas-M small molecule compound
prop-2-en-1-yl 2-{(3E)-2-(3-butoxyphenyl)-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
STL053699
SMILES CCCCOc1cccc(c1)C1/C(=C(/c2ccc3c(c2)CC(O3)C)\O)/C(=O)C(=O)N1c1sc(c(n1)C)C(=O)OCC=C
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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 C32H32N2O7S MW 588.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H32N2O7S/c1-5-7-14-39-23-10-8-9-20(17-23)26-25(27(35)21-11-12-24-22(16-21)15-18(3)41-24)28(36)30(37)34(26)32-33-19(4)29(42-32)31(38)40-13-6-2/h6,8-12,16-18,26,35H,2,5,7,13-15H2,1,3-4H3/b27-25+InChIKey
AKTJLYXQLCEYGW-IMVLJIQESA-NSynonyms
893697-95-5893697955
CCCCOC1=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)C
CCCCOc1cccc(c1)C1C(=C(c2ccc3c(c2)CC(O3)C)O)C(=O)C(=O)N1c1sc(c(n1)C)C(=O)OCC=C
InChI=1SC32H32N2O7Sc157143923108920(1723)2625(27(35)2111122422(1621)1518(3)4124)28(36)30(37)34(26)323319(4)29(4232)31(38)401362h681216182635H2571315H2134H3b2725+
MFCD05732564
prop2en1yl2((3E)2(3butoxyphenyl)3(hydroxy(2methyl23dihydro1benzofuran5yl)methylidene)45dioxopyrrolidin1yl)4methyl13thiazole5carboxylate
PROP2ENYL2((3E)2(3BUTOXYPHENYL)3(HYDROXY(2METHYL23DIHYDRO1BENZOFURAN5YL)METHYLIDENE)45DIOXOPYRROLIDIN1YL)4METHYL13THIAZOLE5CARBOXYLATE
ZINC000102893369
ZINC000102893378
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