Vitas-M small molecule compound
(6aR,13R,13aS)-N-(4-methoxyphenyl)-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
STK688086
SMILES COc1ccc(cc1)NC(=S)N1CCCC2=C[C@@H]3C[C@H]([C@H]12)CN1CCCC[C@H]31
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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 C23H31N3OS MW 397.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H31N3OS/c1-27-20-9-7-19(8-10-20)24-23(28)26-12-4-5-16-13-17-14-18(22(16)26)15-25-11-3-2-6-21(17)25/h7-10,13,17-18,21-22H,2-6,11-12,14-15H2,1H3,(H,24,28)/t17-,18+,21+,22+/m0/s1InChIKey
GABBENKYOSCVRA-XHIHJMKYSA-NSynonyms
(6aR13R13aS)N(4methoxyphenyl)34678910121313adecahydro2H613methanodipyrido(12a32e)azocine1(6aH)carbothioamide
(6R6aR13R13aS)N(4methoxyphenyl)23466a78910121313adodecahydro1H613methanodipyrido(12a32e)azocine1carbothioamide
COC1=CC=C(C=C1)NC(=S)N2CCCC3=CC4CC(C32)CN5C4CCCC5
COc1ccc(cc1)NC(=S)N1CCCC2=C(C@@H)3C(C@H)((C@H)12)CN1CCCC(C@H)31
InChI=1SC23H31N3OSc127209719(81020)2423(28)2612451613171418(22(16)26)15251132621(17)25h7101317182122H2611121415H21H3(H2428)t1718+2122m1s1
MFCD07022898
ZINC000100213607
ZINC4000043
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