Vitas-M small molecule compound
(6S,6aR,13R,13aS)-N-phenyl-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
STK688083
SMILES S=C(N1CCCC2=C[C@@H]3C[C@H]([C@H]12)CN1CCCC[C@H]31)Nc1ccccc1
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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 C22H29N3S MW 367.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H29N3S/c26-22(23-19-8-2-1-3-9-19)25-12-6-7-16-13-17-14-18(21(16)25)15-24-11-5-4-10-20(17)24/h1-3,8-9,13,17-18,20-21H,4-7,10-12,14-15H2,(H,23,26)/t17-,18+,20+,21+/m0/s1InChIKey
KVDDNZXYTULNOJ-UYWIDEMCSA-NSynonyms
(6R6aR13R13aS)Nphenyl23466a78910121313adodecahydro1H613methanodipyrido(12a32e)azocine1carbothioamide
(6S6aR13R13aS)Nphenyl34678910121313adecahydro2H613methanodipyrido(12a32e)azocine1(6aH)carbothioamide
MFCD05675134
S=C(N1CCCC2=C(C@@H)3C(C@@H)((C@H)12)CN1CCCC(C@H)31)Nc1ccccc1
S=C(N1CCCC2=C(C@@H)3C(C@H)((C@H)12)CN1CCCC(C@H)31)Nc1ccccc1
ZINC000100213589
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