Vitas-M small molecule compound
(6R,6aR,13S,13aS)-3,4,6,7,8,9,10,12,13,13a-decahydro-2H-6,13-methanodipyrido[1,2-a:3',2'-e]azocin-1(6aH)-yl(2,6-dichloropyridin-3-yl)methanone
Catalog ID
STL535123
SMILES Clc1ccc(c(n1)Cl)C(=O)N1CCCC2=C[C@@H]3C[C@H]([C@H]12)CN1CCCC[C@H]31
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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 C21H25Cl2N3O MW 406.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25Cl2N3O/c22-18-7-6-16(20(23)24-18)21(27)26-9-3-4-13-10-14-11-15(19(13)26)12-25-8-2-1-5-17(14)25/h6-7,10,14-15,17,19H,1-5,8-9,11-12H2/t14-,15+,17+,19+/m0/s1InChIKey
JRJMZGVDWPHJIW-BUIAKZPTSA-NSynonyms
(26dichloropyridin3yl)((6R6aR13R13aS)23466a78910121313adodecahydro1H613methanodipyrido(12a32e)azocin1yl)methanone
(6R6aR13S13aS)34678910121313adecahydro2H613methanodipyrido(12a32e)azocin1(6aH)yl(26dichloropyridin3yl)methanone
Clc1ccc(c(n1)Cl)C(=O)N1CCCC2=C(C@H)3C(C@H)((C@H)12)CN1CCCC(C@H)31
InChI=1SC21H25Cl2N3Oc22187616(20(23)2418)21(27)269341310141115(19(13)26)1225821517(14)25h671014151719H15891112H2t1415+17+19+m0s1
MFCD09843742
ZINC000100789484
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