Vitas-M small molecule compound
(6S,6aR,13R,13aS)-N-(2-fluorophenyl)-3,4,6,7,8,9,10,12,13,13a-decahydro-2H-6,13-methanodipyrido[1,2-a:3',2'-e]azocine-1(6aH)-carbothioamide
Catalog ID
STK687826
SMILES S=C(N1CCCC2=C[C@@H]3C[C@H]([C@H]12)CN1CCCC[C@H]31)Nc1ccccc1F
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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 C22H28FN3S MW 385.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H28FN3S/c23-18-7-1-2-8-19(18)24-22(27)26-11-5-6-15-12-16-13-17(21(15)26)14-25-10-4-3-9-20(16)25/h1-2,7-8,12,16-17,20-21H,3-6,9-11,13-14H2,(H,24,27)/t16-,17+,20+,21+/m0/s1InChIKey
AMMVHVUHCPVNCO-XWDORNJCSA-NSynonyms
(6R6aR13R13aS)N(2fluorophenyl)23466a78910121313adodecahydro1H613methanodipyrido(12a32e)azocine1carbothioamide
(6S6aR13R13aS)N(2fluorophenyl)34678910121313adecahydro2H613methanodipyrido(12a32e)azocine1(6aH)carbothioamide
MFCD18246948
S=C(N1CCCC2=C(C@@H)3C(C@@H)((C@H)12)CN1CCCC(C@H)31)Nc1ccccc1F
S=C(N1CCCC2=C(C@@H)3C(C@H)((C@H)12)CN1CCCC(C@H)31)Nc1ccccc1F
ZINC000100211752
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