Vitas-M small molecule compound
5-ethyl-7-methyl-2-[4-(propan-2-yl)phenyl]-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one
Catalog ID
STL448490
SMILES CCC12CN3CC(C2=O)(CN(C1)C3c1ccc(cc1)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 C20H28N2O MW 312.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H28N2O/c1-5-20-12-21-10-19(4,18(20)23)11-22(13-20)17(21)16-8-6-15(7-9-16)14(2)3/h6-9,14,17H,5,10-13H2,1-4H3InChIKey
GSVMQVHPVQUMJG-UHFFFAOYSA-NSynonyms
(1S5S7R)5ethyl2(4isopropylphenyl)7methyl13diazaadamantan6one
5ethyl7methyl2(4(propan2yl)phenyl)13diazatricyclo(3311~37~)decan6one
CC(C@)12CN3C(C@@)(C2=O)(CN(C1)C3c1ccc(cc1)C(C)C)C
CCC12CN3CC(C1=O)(CN(C2)C3C4=CC=C(C=C4)C(C)C)C
InChI=1SC20H28N2Oc152012211019(418(20)23)1122(1320)17(21)168615(7916)14(2)3h691417H51013H214H3
MFCD08060325
ZINC000019323586
ZINC19323586
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