Vitas-M small molecule compound
ethyl 2-{[(2E)-3-(5-chloro-7-methoxy-1-benzofuran-2-yl)prop-2-enoyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STL120089
SMILES CCOC(=O)c1c(NC(=O)/C=C/c2cc3c(o2)c(OC)cc(c3)Cl)sc2c1CCC(C2)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 C24H24ClNO5S MW 473.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H24ClNO5S/c1-4-30-24(28)21-17-7-5-13(2)9-19(17)32-23(21)26-20(27)8-6-16-11-14-10-15(25)12-18(29-3)22(14)31-16/h6,8,10-13H,4-5,7,9H2,1-3H3,(H,26,27)/b8-6+InChIKey
DNDVRQQSMBCNTL-SOFGYWHQSA-NSynonyms
CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)C=CC3=CC4=CC(=CC(=C4O3)OC)Cl
CCOC(=O)c1c(NC(=O)C=Cc2cc3c(o2)c(OC)cc(c3)Cl)sc2c1CCC(C2)C
ethyl2(((2E)3(5chloro7methoxy1benzofuran2yl)prop2enoyl)amino)6methyl4567tetrahydro1benzothiophene3carboxylate
ethyl2(((E)3(5chloro7methoxy1benzofuran2yl)prop2enoyl)amino)6methyl4567tetrahydro1benzothiophene3carboxylate
InChI=1SC24H24ClNO5Sc143024(28)21177513(2)919(17)3223(21)2620(27)861611141015(25)1218(293)22(14)3116h681013H4579H213H3(H2627)b86+
MFCD20753191
ZINC000067339450
ZINC000067339452
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