Vitas-M small molecule compound
1-[(4-methoxyphenyl)sulfonyl]-1,3,4,6,6a,7,8,9,10,12,13,13a-dodecahydro-2H-6,13-methanodipyrido[1,2-a:3',2'-e]azocine
Catalog ID
STL461435
SMILES COc1ccc(cc1)S(=O)(=O)N1CCCC2=CC3CC(C12)CN1CCCCC31
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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 C22H30N2O3S MW 402.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H30N2O3S/c1-27-19-7-9-20(10-8-19)28(25,26)24-12-4-5-16-13-17-14-18(22(16)24)15-23-11-3-2-6-21(17)23/h7-10,13,17-18,21-22H,2-6,11-12,14-15H2,1H3InChIKey
OEHFYGYYYQJAMU-UHFFFAOYSA-NSynonyms
(6R6aR13R13aS)1((4methoxyphenyl)sulfonyl)23466a78910121313adodecahydro1H613methanodipyrido(12a32e)azocine
1((4methoxyphenyl)sulfonyl)13466a78910121313adodecahydro2H613methanodipyrido(12a32e)azocine
COC1=CC=C(C=C1)S(=O)(=O)N2CCCC3=CC4CC(C32)CN5C4CCCC5
COc1ccc(cc1)S(=O)(=O)N1CCCC2=C(C@H)3C(C@H)((C@H)12)CN1CCCC(C@H)31
InChI=1SC22H30N2O3Sc127197920(10819)28(2526)2412451613171418(22(16)24)15231132621(17)23h7101317182122H2611121415H21H3
MFCD10040973
ZINC000100785530
ZINC000244742236
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