Vitas-M small molecule compound
ethyl 6-bromo-1-cyclohexyl-5-hydroxy-2-{[4-(2-methylphenyl)piperazin-1-yl]methyl}-1H-indole-3-carboxylate
Catalog ID
STK662479
SMILES CCOC(=O)c1c2cc(O)c(cc2n(c1CN1CCN(CC1)c1ccccc1C)C1CCCCC1)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 C29H36BrN3O3 MW 554.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H36BrN3O3/c1-3-36-29(35)28-22-17-27(34)23(30)18-25(22)33(21-10-5-4-6-11-21)26(28)19-31-13-15-32(16-14-31)24-12-8-7-9-20(24)2/h7-9,12,17-18,21,34H,3-6,10-11,13-16,19H2,1-2H3InChIKey
IQZYXXFIRGIQBJ-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(N(C2=CC(=C(C=C21)O)Br)C3CCCCC3)CN4CCN(CC4)C5=CC=CC=C5C
ethyl6bromo1cyclohexyl5hydroxy2((4(2methylphenyl)piperazin1yl)methyl)1Hindole3carboxylate
ETHYL6BROMO1CYCLOHEXYL5HYDROXY2((4(2METHYLPHENYL)PIPERAZIN1YL)METHYL)INDOLE3CARBOXYLATE
InChI=1SC29H36BrN3O3c133629(35)28221727(34)23(30)1825(22)33(21105461121)26(28)1931131532(161431)241287920(24)2h791217182134H361011131619H212H3
MFCD01206911
ZINC000097960004
ZINC97960004
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