Vitas-M small molecule compound

3-[2-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-2-oxoethyl]-4,8-dimethyl-7-[(pentamethylbenzyl)oxy]-2H-chromen-2-one

Catalog ID
STL461166
SMILES O=C(N1CCC2(C(C1)CCCC2)O)Cc1c(=O)oc2c(c1C)ccc(c2C)OCc1c(C)c(C)c(c(c1C)C)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 C34H43NO5 MW 545.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H43NO5/c1-19-20(2)22(4)29(23(5)21(19)3)18-39-30-12-11-27-24(6)28(33(37)40-32(27)25(30)7)16-31(36)35-15-14-34(38)13-9-8-10-26(34)17-35/h11-12,26,38H,8-10,13-18H2,1-7H3
InChIKey
LKCRCQNKEYNMBD-UHFFFAOYSA-N
Synonyms

3(2(4ahydroxy13456788aoctahydroisoquinolin2yl)2oxoethyl)48dimethyl7((23456pentamethylphenyl)methoxy)chromen2one
3(2(4ahydroxyoctahydroisoquinolin2(1H)yl)2oxoethyl)48dimethyl7((23456pentamethylbenzyl)oxy)2Hchromen2one
3(2(4ahydroxyoctahydroisoquinolin2(1H)yl)2oxoethyl)48dimethyl7((pentamethylbenzyl)oxy)2Hchromen2one
CC1=C(C(=C(C(=C1C)C)COC2=C(C3=C(C=C2)C(=C(C(=O)O3)CC(=O)N4CCC5(CCCCC5C4)O)C)C)C)C
InChI=1SC34H43NO5c11920(2)22(4)29(23(5)21(19)3)18393012112724(6)28(33(37)4032(27)25(30)7)1631(36)35151434(38)13981026(34)1735h11122638H8101318H217H3
MFCD10040830
ZINC000002111283
ZINC000011867089

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Available files

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