Vitas-M small molecule compound
(6S,6aR,13R,13aS)-N-(pyridin-3-yl)-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
STL565966
SMILES S=C(N1CCCC2=C[C@@H]3C[C@H]([C@H]12)CN1CCCC[C@H]31)Nc1cccnc1
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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 C21H28N4S MW 368.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H28N4S/c26-21(23-18-6-3-8-22-13-18)25-10-4-5-15-11-16-12-17(20(15)25)14-24-9-2-1-7-19(16)24/h3,6,8,11,13,16-17,19-20H,1-2,4-5,7,9-10,12,14H2,(H,23,26)/t16-,17+,19+,20+/m0/s1InChIKey
YNNDBOMTKAJCIE-ONCXSQPRSA-NSynonyms
(1R2S9R10R)Npyridin3yl315diazatetracyclo(77102701015)heptadec7ene3carbothioamide
(6R6aR13R13aS)N(pyridin3yl)23466a78910121313adodecahydro1H613methanodipyrido(12a32e)azocine1carbothioamide
(6S6aR13R13aS)N(pyridin3yl)34678910121313adecahydro2H613methanodipyrido(12a32e)azocine1(6aH)carbothioamide
99885737
InChI=1SC21H28N4Sc2621(2318638221318)2510451511161217(20(15)25)1424921719(16)24h368111316171920H124579101214H2(H2326)t1617+19+20+m0s1
MFCD32651790
S=C(N1CCCC2=C(C@@H)3C(C@@H)((C@H)12)CN1CCCC(C@H)31)Nc1cccnc1
ZINC000100788948
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