Vitas-M small molecule compound
3-benzyl-5-hydroxy-6-({(2-methoxyethyl)[(1S,9aR)-octahydro-2H-quinolizin-1-ylmethyl]amino}methyl)-4,7-dimethyl-2H-chromen-2-one
Catalog ID
STL566547
SMILES COCCN(Cc1c(C)cc2c(c1O)c(C)c(c(=O)o2)Cc1ccccc1)C[C@@H]1CCCN2[C@@H]1CCCC2
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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 C32H42N2O4 MW 518.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H42N2O4/c1-22-18-29-30(23(2)26(32(36)38-29)19-24-10-5-4-6-11-24)31(35)27(22)21-33(16-17-37-3)20-25-12-9-15-34-14-8-7-13-28(25)34/h4-6,10-11,18,25,28,35H,7-9,12-17,19-21H2,1-3H3/t25-,28+/m0/s1InChIKey
KYAGWBTWNCTHTG-LBNVMWSVSA-NSynonyms
125430421
3benzyl5hydroxy6(((2methoxyethyl)(((1S9aR)octahydro1Hquinolizin1yl)methyl)amino)methyl)47dimethyl2Hchromen2one
3benzyl5hydroxy6(((2methoxyethyl)((1S9aR)octahydro2Hquinolizin1ylmethyl)amino)methyl)47dimethyl2Hchromen2one
6((((1S9aR)23467899aoctahydro1Hquinolizin1yl)methyl(2methoxyethyl)amino)methyl)3benzyl5hydroxy47dimethylchromen2one
COCCN(Cc1c(C)cc2c(c1O)c(C)c(c(=O)o2)Cc1ccccc1)C(C@@H)1CCCN2(C@@H)1CCCC2
InChI=1SC32H42N2O4c122182930(23(2)26(32(36)3829)1924105461124)31(35)27(22)2133(1617373)2025129153414871328(25)34h46101118252835H7912171921H213H3t2528+m0s1
MFCD32652043
ZINC000524731808
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