Vitas-M small molecule compound
5-butyl-2-(5-methoxy-1H-indol-3-yl)-7-methyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one
Catalog ID
STK966958
SMILES CCCCC12CN3CC(C2=O)(CN(C1)C3c1c[nH]c2c1cc(OC)cc2)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 C22H29N3O2 MW 367.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H29N3O2/c1-4-5-8-22-13-24-11-21(2,20(22)26)12-25(14-22)19(24)17-10-23-18-7-6-15(27-3)9-16(17)18/h6-7,9-10,19,23H,4-5,8,11-14H2,1-3H3InChIKey
OKJLXKYCWHGVED-UHFFFAOYSA-NSynonyms
(1S5S7R)5butyl2(5methoxy1Hindol3yl)7methyl13diazaadamantan6one
5butyl2(5methoxy1Hindol3yl)7methyl13diazatricyclo(3311~37~)decan6one
CCCC(C@)12CN3C(C@@)(C2=O)(CN(C1)C3c1c(nH)c2c1cc(OC)cc2)C
CCCCC12CN3CC(C1=O)(CN(C2)C3C4=CNC5=C4C=C(C=C5)OC)C
CCCCC12CN3CC(C2=O)(CN(C1)C3c1c(nH)c2c1cc(OC)cc2)C
InChI=1SC22H29N3O2c14582213241121(220(22)26)1225(1422)19(24)171023187615(273)916(17)18h679101923H4581114H213H3
MFCD06166340
ZINC000019323535
ZINC19323535
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