Vitas-M small molecule compound
3-[(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)-ylcarbonyl]-7-methoxy-1-methylquinolin-4(1H)-one
Catalog ID
STL551296
SMILES COc1ccc2c(c1)n(C)cc(c2=O)C(=O)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 C27H33N3O3 MW 447.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H33N3O3/c1-28-16-22(26(31)21-9-8-20(33-2)14-24(21)28)27(32)30-11-5-6-17-12-18-13-19(25(17)30)15-29-10-4-3-7-23(18)29/h8-9,12,14,16,18-19,23,25H,3-7,10-11,13,15H2,1-2H3/t18-,19+,23+,25+/m0/s1InChIKey
UUMMXSSKTYBNHN-IRMATFOQSA-NSynonyms
135639952
3((1~(R)2~(S)9~(R)10~(R))315diazatetracyclo(7710^(27)0^(1015))heptadec7ene3carbonyl)7methoxy1methylquinolin4one
3((6aR13R13aS)34678910121313adecahydro2H613methanodipyrido(12a32e)azocin1(6aH)ylcarbonyl)7methoxy1methylquinolin4(1H)one
3((6R13R)23466a78910121313adodecahydro1H613methanodipyrido(12a32e)azocine1carbonyl)7methoxy1methylquinolin4(1H)one
COc1ccc2c(c1)n(C)cc(c2=O)C(=O)N1CCCC2=C(C@H)3C(C@H)(C12)CN1CCCCC31
InChI=1SC27H33N3O3c1281622(26(31)219820(332)1424(21)28)27(32)3011561712181319(25(17)30)15291043723(18)29h8912141618192325H3710111315H212H3t1819+23+25+m0s1
ZINC001772492931
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