Vitas-M small molecule compound
(6S,6aR,13R,13aS)-N-cyclopropyl-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
STL535695
SMILES S=C(N1CCCC2=C[C@@H]3C[C@H]([C@H]12)CN1CCCC[C@H]31)NC1CC1
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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 C19H29N3S MW 331.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H29N3S/c23-19(20-16-6-7-16)22-9-3-4-13-10-14-11-15(18(13)22)12-21-8-2-1-5-17(14)21/h10,14-18H,1-9,11-12H2,(H,20,23)/t14-,15+,17+,18+/m0/s1InChIKey
PGSDIRMFGYBOJM-BURFUSLBSA-NSynonyms
(6R6aR13R13aS)Ncyclopropyl23466a78910121313adodecahydro1H613methanodipyrido(12a32e)azocine1carbothioamide
(6S6aR13R13aS)Ncyclopropyl34678910121313adecahydro2H613methanodipyrido(12a32e)azocine1(6aH)carbothioamide
InChI=1SC19H29N3Sc2319(20166716)229341310141115(18(13)22)1221821517(14)21h101418H191112H2(H2023)t1415+17+18+m0s1
MFCD09843537
S=C(N1CCCC2=C(C@@H)3C(C@@H)((C@H)12)CN1CCCC(C@H)31)NC1CC1
ZINC000100789332
Check stock
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Check stock on Vitas-MAvailable files
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