Vitas-M small molecule compound
(5s,7s)-2-(2-nitrophenyl)-5,7-di(propan-2-yl)-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one
Catalog ID
STL513353
SMILES CC([C@]12CN3C[C@@](C2=O)(CN(C1)C3c1ccccc1[N+](=O)[O-])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 C20H27N3O3 MW 357.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H27N3O3/c1-13(2)19-9-21-11-20(14(3)4,18(19)24)12-22(10-19)17(21)15-7-5-6-8-16(15)23(25)26/h5-8,13-14,17H,9-12H2,1-4H3/t17?,19-,20+InChIKey
ZQPVSOKKSLPTAM-CTXDPNEZSA-NSynonyms
(5s7s)2(2nitrophenyl)57di(propan2yl)13diazatricyclo(3311~37~)decan6one
(5s7s)57diisopropyl2(2nitrophenyl)13diazaadamantan6one
CC((C@)12CN3C(C@@)(C2=O)(CN(C1)C3c1ccccc1(N+)(=O)(O))C(C)C)C
InChI=1SC20H27N3O3c113(2)199211120(14(3)418(19)24)1222(1019)17(21)15756816(15)23(25)26h58131417H912H214H3t17?1920+
MFCD02925228
ZINC000019319722
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