Vitas-M small molecule compound
4-{[(4aS,8aS)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]carbonyl}-2-(propan-2-yl)isoquinolin-1(2H)-one
Catalog ID
STL538535
SMILES O=C(c1cn(C(C)C)c(=O)c2c1cccc2)N1CC[C@@]2([C@H](C1)CCCC2)O
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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 C22H28N2O3 MW 368.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H28N2O3/c1-15(2)24-14-19(17-8-3-4-9-18(17)21(24)26)20(25)23-12-11-22(27)10-6-5-7-16(22)13-23/h3-4,8-9,14-16,27H,5-7,10-13H2,1-2H3/t16-,22-/m0/s1InChIKey
NFAOHKZHRZIDDG-AOMKIAJQSA-NSynonyms
1380577-75-21380577752
4(((4aS8aS)4ahydroxyoctahydroisoquinolin2(1H)yl)carbonyl)2(propan2yl)isoquinolin1(2H)one
4((4~(a)~(S)8~(a)~(S))4~(a)hydroxy13456788~(a)octahydroisoquinoline2carbonyl)2propan2ylisoquinolin1one
4(4ahydroxydecahydroisoquinoline2carbonyl)2isopropylisoquinolin1(2H)one
71691949
InChI=1SC22H28N2O3c115(2)241419(17834918(17)21(24)26)20(25)23121122(27)1065716(22)1323h3489141627H571013H212H3t1622m0s1
O=C(c1cn(C(C)C)c(=O)c2c1cccc2)N1CCC2(C(C1)CCCC2)O
ZINC000072325283
ZINC72325283
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