Vitas-M small molecule compound
1-[(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-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone
Catalog ID
STL547301
SMILES O=C(N1CCCC2=C[C@@H]3C[C@H]([C@H]12)CN1CCCC[C@H]31)Cc1c(C)noc1C
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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 C22H31N3O2 MW 369.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H31N3O2/c1-14-19(15(2)27-23-14)12-21(26)25-9-5-6-16-10-17-11-18(22(16)25)13-24-8-4-3-7-20(17)24/h10,17-18,20,22H,3-9,11-13H2,1-2H3/t17-,18+,20+,22+/m0/s1InChIKey
FWXGOVZQFAUWDF-XHYAQGIWSA-NSynonyms
1((6R6aR13S13aS)34678910121313adecahydro2H613methanodipyrido(12a32e)azocin1(6aH)yl)2(35dimethyl12oxazol4yl)ethanone
2(35dimethylisoxazol4yl)1((6R6aR13R13aS)23466a78910121313adodecahydro1H613methanodipyrido(12a32e)azocin1yl)ethanone
InChI=1SC22H31N3O2c11419(15(2)272314)1221(26)259561610171118(22(16)25)1324843720(17)24h1017182022H391113H212H3t1718+20+22+m0s1
O=C(N1CCCC2=C(C@H)3C(C@H)((C@H)12)CN1CCCC(C@H)31)Cc1c(C)noc1C
ZINC000263585171
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