Vitas-M small molecule compound

7-[(2,5-dimethylbenzyl)oxy]-3-[3-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-3-oxopropyl]-4-methyl-2H-chromen-2-one

Catalog ID
STL461201
SMILES Cc1ccc(c(c1)COc1ccc2c(c1)oc(=O)c(c2C)CCC(=O)N1CCC2(C(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 C31H37NO5 MW 503.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H37NO5/c1-20-7-8-21(2)23(16-20)19-36-25-9-10-26-22(3)27(30(34)37-28(26)17-25)11-12-29(33)32-15-14-31(35)13-5-4-6-24(31)18-32/h7-10,16-17,24,35H,4-6,11-15,18-19H2,1-3H3
InChIKey
UYTQMEAOFGQCGZ-UHFFFAOYSA-N
Synonyms

3(3(4ahydroxy13456788aoctahydroisoquinolin2yl)3oxopropyl)7((25dimethylphenyl)methoxy)4methylchromen2one
7((25dimethylbenzyl)oxy)3(3(4ahydroxyoctahydroisoquinolin2(1H)yl)3oxopropyl)4methyl2Hchromen2one
CC1=CC(=C(C=C1)C)COC2=CC3=C(C=C2)C(=C(C(=O)O3)CCC(=O)N4CCC5(CCCCC5C4)O)C
InChI=1SC31H37NO5c1207821(2)23(1620)1936259102622(3)27(30(34)3728(26)1725)111229(33)32151431(35)1354624(31)1832h71016172435H4611151819H213H3
MFCD10040859
ZINC000002111967
ZINC000011867181

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Available files

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