Vitas-M small molecule compound
2-{(2S)-1-[(4aS,8aS)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]-3-methyl-1-oxobutan-2-yl}-2,3-dihydro-1H-isoindol-1-one
Catalog ID
STL538599
SMILES CC([C@H](N1Cc2c(C1=O)cccc2)C(=O)N1CC[C@@]2([C@H](C1)CCCC2)O)C
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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 C22H30N2O3 MW 370.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H30N2O3/c1-15(2)19(24-13-16-7-3-4-9-18(16)20(24)25)21(26)23-12-11-22(27)10-6-5-8-17(22)14-23/h3-4,7,9,15,17,19,27H,5-6,8,10-14H2,1-2H3/t17-,19-,22-/m0/s1InChIKey
QYZKWUCZZPOUAN-JLMWRMLUSA-NSynonyms
1491139-90-21491139902
2((2~(S))1((4~(a)~(S)8~(a)~(S))4~(a)hydroxy13456788~(a)octahydroisoquinolin2yl)3methyl1oxobutan2yl)3~(H)isoindol1one
2((2S)1((4aS8aS)4ahydroxyoctahydroisoquinolin2(1H)yl)3methyl1oxobutan2yl)23dihydro1Hisoindol1one
2((2S)1(4ahydroxyoctahydroisoquinolin2(1H)yl)3methyl1oxobutan2yl)isoindolin1one
71692021
CC((C@H)(N1Cc2c(C1=O)cccc2)C(=O)N1CCC2(C(C1)CCCC2)O)C
InChI=1SC22H30N2O3c115(2)19(241316734918(16)20(24)25)21(26)23121122(27)1065817(22)1423h347915171927H5681014H212H3t171922m0s1
ZINC000072325453
ZINC72325453
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