Vitas-M small molecule compound
(6R,6aR,13R,13aS)-N-(2,3-dihydro-1,4-benzodioxin-6-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
STK687906
SMILES S=C(N1CCCC2=C[C@@H]3C[C@H]([C@H]12)CN1CCCC[C@H]31)Nc1ccc2c(c1)OCCO2
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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 C24H31N3O2S MW 425.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H31N3O2S/c30-24(25-19-6-7-21-22(14-19)29-11-10-28-21)27-9-3-4-16-12-17-13-18(23(16)27)15-26-8-2-1-5-20(17)26/h6-7,12,14,17-18,20,23H,1-5,8-11,13,15H2,(H,25,30)/t17-,18+,20+,23+/m0/s1InChIKey
ROXRXPHYGPLRPK-XNSSQMBPSA-NSynonyms
(6R6aR13R13aS)N(23dihydro14benzodioxin6yl)34678910121313adecahydro2H613methanodipyrido(12a32e)azocine1(6aH)carbothioamide
(6R6aR13R13aS)N(23dihydrobenzo(b)(14)dioxin6yl)23466a78910121313adodecahydro1H613methanodipyrido(12a32e)azocine1carbothioamide
MFCD18246956
S=C(N1CCCC2=C(C@@H)3C(C@H)((C@H)12)CN1CCCC(C@H)31)Nc1ccc2c(c1)OCCO2
S=C(N1CCCC2=C(C@H)3C(C@H)((C@H)12)CN1CCCC(C@H)31)Nc1ccc2c(c1)OCCO2
ZINC000100212248
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