Vitas-M small molecule compound
4-[(6R)-3,4,6,7,8,9,10,12,13,13a-decahydro-2H-6,13-methanodipyrido[1,2-a:3',2'-e]azocin-1(6aH)-ylcarbonyl]-1-(4-methoxyphenyl)pyrrolidin-2-one
Catalog ID
STL545864
SMILES COc1ccc(cc1)N1CC(CC1=O)C(=O)N1CCCC2=C[C@@H]3C[C@H](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 C27H35N3O3 MW 449.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H35N3O3/c1-33-23-9-7-22(8-10-23)30-17-21(15-25(30)31)27(32)29-12-4-5-18-13-19-14-20(26(18)29)16-28-11-3-2-6-24(19)28/h7-10,13,19-21,24,26H,2-6,11-12,14-17H2,1H3/t19-,20+,21?,24?,26?/m0/s1InChIKey
CCDXVWLCRJJTAC-NIRMYDLLSA-NSynonyms
4((6R)34678910121313adecahydro2H613methanodipyrido(12a32e)azocin1(6aH)ylcarbonyl)1(4methoxyphenyl)pyrrolidin2one
4((6R13R)23466a78910121313adodecahydro1H613methanodipyrido(12a32e)azocine1carbonyl)1(4methoxyphenyl)pyrrolidin2one
COc1ccc(cc1)N1C(C@@H)(CC1=O)C(=O)N1CCCC2=C(C@H)3C(C@@H)((C@@H)12)CN1CCCC(C@H)31
InChI=1SC27H35N3O3c133239722(81023)301721(1525(30)31)27(32)2912451813191420(26(18)29)16281132624(19)28h7101319212426H2611121417H21H3t1920+21?24?26?m0s1
ZINC000583647548
ZINC000583647551
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