Vitas-M small molecule compound
ethyl 1-{[6-bromo-3-(ethoxycarbonyl)-5-methoxy-1-benzofuran-2-yl]methyl}-4-phenylpiperidine-4-carboxylate
Catalog ID
STK016589
SMILES CCOC(=O)c1c(CN2CCC(CC2)(C(=O)OCC)c2ccccc2)oc2c1cc(OC)c(c2)Br
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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 C27H30BrNO6 MW 544.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H30BrNO6/c1-4-33-25(30)24-19-15-22(32-3)20(28)16-21(19)35-23(24)17-29-13-11-27(12-14-29,26(31)34-5-2)18-9-7-6-8-10-18/h6-10,15-16H,4-5,11-14,17H2,1-3H3InChIKey
MIJHURZOAFQRHH-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(OC2=CC(=C(C=C21)OC)Br)CN3CCC(CC3)(C4=CC=CC=C4)C(=O)OCC
CCOC(=O)c1c(CN2CCC(CC2)(C(=O)OCC)c2ccccc2)oc2c1cc(OC)c(c2)Br
ETHYL1((6BROMO3(ETHOXYCARBONYL)5METHOXY1BENZOFURAN2YL)METHYL)4PHENYLPIPERIDINE4CARBOXYLATE
ETHYL1((6BROMO3ETHOXYCARBONYL5METHOXY1BENZOFURAN2YL)METHYL)4PHENYLPIPERIDINE4CARBOXYLATE
InChI=1SC27H30BrNO6c143325(30)24191522(323)20(28)1621(19)3523(24)1729131127(12142926(31)3452)1897681018h6101516H45111417H213H3
MFCD01578627
STK016589
ZINC000100098426
ZINC100098426
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