Vitas-M small molecule compound
methyl 2-{[(2E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino}-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK421801
SMILES COC(=O)c1c(NC(=O)/C=C/c2ccc3c(c2)OCO3)sc2c1CCC(C2)C(CC)(C)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 C25H29NO5S MW 455.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H29NO5S/c1-5-25(2,3)16-8-9-17-20(13-16)32-23(22(17)24(28)29-4)26-21(27)11-7-15-6-10-18-19(12-15)31-14-30-18/h6-7,10-12,16H,5,8-9,13-14H2,1-4H3,(H,26,27)/b11-7+InChIKey
UUPVIYVABDJRPH-YRNVUSSQSA-NSynonyms
354546-99-9354546999
CCC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C=CC3=CC4=C(C=C3)OCO4
COC(=O)c1c(NC(=O)C=Cc2ccc3c(c2)OCO3)sc2c1CCC(C2)C(CC)(C)C
InChI=1SC25H29NO5Sc1525(23)16891720(1316)3223(22(17)24(28)294)2621(27)117156101819(1215)31143018h67101216H5891314H214H3(H2627)b117+
methyl2(((2E)3(13benzodioxol5yl)prop2enoyl)amino)6(2methylbutan2yl)4567tetrahydro1benzothiophene3carboxylate
methyl2(((E)3(13benzodioxol5yl)prop2enoyl)amino)6(2methylbutan2yl)4567tetrahydro1benzothiophene3carboxylate
MFCD01339674
ZINC000002092811
ZINC000002092815
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