Vitas-M small molecule compound
2-[4-(benzyloxy)phenyl]-5,7-di(propan-2-yl)-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one
Catalog ID
STL448504
SMILES CC(C12CN3CC(C2=O)(CN(C1)C3c1ccc(cc1)OCc1ccccc1)C(C)C)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 C27H34N2O2 MW 418.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H34N2O2/c1-19(2)26-15-28-17-27(20(3)4,25(26)30)18-29(16-26)24(28)22-10-12-23(13-11-22)31-14-21-8-6-5-7-9-21/h5-13,19-20,24H,14-18H2,1-4H3InChIKey
PLHBDXRKXUYROR-UHFFFAOYSA-NSynonyms
2(4(benzyloxy)phenyl)57di(propan2yl)13diazatricyclo(3311~37~)decan6one
CC(C)C12CN3CC(C1=O)(CN(C2)C3C4=CC=C(C=C4)OCC5=CC=CC=C5)C(C)C
InChI=1SC27H34N2O2c119(2)2615281727(20(3)425(26)30)1829(1626)24(28)22101223(131122)3114218657921h513192024H1418H214H3
MFCD08060336
ZINC000019327382
ZINC19327382
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