Vitas-M small molecule compound
methyl 2-{[(6S,6aR,13R,13aS)-3,4,6,7,8,9,10,12,13,13a-decahydro-2H-6,13-methanodipyrido[1,2-a:3',2'-e]azocin-1(6aH)-ylcarbonothioyl]amino}benzoate
Catalog ID
STL538180
SMILES COC(=O)c1ccccc1NC(=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 C24H31N3O2S MW 425.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H31N3O2S/c1-29-23(28)19-8-2-3-9-20(19)25-24(30)27-12-6-7-16-13-17-14-18(22(16)27)15-26-11-5-4-10-21(17)26/h2-3,8-9,13,17-18,21-22H,4-7,10-12,14-15H2,1H3,(H,25,30)/t17-,18+,21+,22+/m0/s1InChIKey
JBBOEOVLWLPIEZ-XHIHJMKYSA-NSynonyms
COC(=O)c1ccccc1NC(=S)N1CCCC2=C(C@@H)3C(C@@H)((C@H)12)CN1CCCC(C@H)31
InChI=1SC24H31N3O2Sc12923(28)19823920(19)2524(30)2712671613171418(22(16)27)152611541021(17)26h23891317182122H4710121415H21H3(H2530)t1718+21+22+m0s1
methyl2(((6S6aR13R13aS)34678910121313adecahydro2H613methanodipyrido(12a32e)azocin1(6aH)ylcarbonothioyl)amino)benzoate
methyl2((6R6aR13R13aS)23466a78910121313adodecahydro1H613methanodipyrido(12a32e)azocine1carbothioamido)benzoate
MFCD09843339
ZINC000100789209
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