Vitas-M small molecule compound
ethyl 3-{[(6aR,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
STL532674
SMILES CCOC(=O)c1cccc(c1)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 C25H33N3O2S MW 439.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H33N3O2S/c1-2-30-24(29)18-7-5-9-21(15-18)26-25(31)28-12-6-8-17-13-19-14-20(23(17)28)16-27-11-4-3-10-22(19)27/h5,7,9,13,15,19-20,22-23H,2-4,6,8,10-12,14,16H2,1H3,(H,26,31)/t19-,20+,22+,23+/m0/s1InChIKey
DBISAYQKMULERW-KKSHJYNMSA-NSynonyms
CCOC(=O)c1cccc(c1)NC(=S)N1CCCC2=C(C@@H)3C(C@@H)((C@H)12)CN1CCCC(C@H)31
ethyl3(((6aR13aS)34678910121313adecahydro2H613methanodipyrido(12a32e)azocin1(6aH)ylcarbonothioyl)amino)benzoate
ethyl3((6R6aR13R13aS)23466a78910121313adodecahydro1H613methanodipyrido(12a32e)azocine1carbothioamido)benzoate
InChI=1SC25H33N3O2Sc123024(29)1875921(1518)2625(31)2812681713191420(23(17)28)162711431022(19)27h579131519202223H246810121416H21H3(H2631)t1920+22+23+m0s1
MFCD06494356
ZINC000100769833
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