Vitas-M small molecule compound
2-(1-benzyl-1H-indol-3-yl)-5-methyl-7-propyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one
Catalog ID
STK684304
SMILES CCCC12CN3CC(C2=O)(CN(C1)C3c1cn(c2c1cccc2)Cc1ccccc1)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 C27H31N3O MW 413.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H31N3O/c1-3-13-27-18-29-16-26(2,25(27)31)17-30(19-27)24(29)22-15-28(14-20-9-5-4-6-10-20)23-12-8-7-11-21(22)23/h4-12,15,24H,3,13-14,16-19H2,1-2H3InChIKey
WSUXWWCNWWZCRN-UHFFFAOYSA-NSynonyms
(1S5R7S)2(1benzyl1Hindol3yl)5methyl7propyl13diazaadamantan6one
2(1benzyl1Hindol3yl)5methyl7propyl13diazatricyclo(3311~37~)decan6one
CCC(C@)12CN3C(C@@)(C2=O)(CN(C1)C3c1cn(c2c1cccc2)Cc1ccccc1)C
CCCC12CN3CC(C1=O)(CN(C2)C3C4=CN(C5=CC=CC=C54)CC6=CC=CC=C6)C
InChI=1SC27H31N3Oc13132718291626(225(27)31)1730(1927)24(29)221528(142095461020)2312871121(22)23h4121524H313141619H212H3
MFCD05260304
ZINC000019322775
ZINC19322775
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