Vitas-M small molecule compound

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

Catalog ID
STL461184
SMILES Cc1cccc(c1)COc1ccc2c(c1C)oc(=O)c(c2C)CCC(=O)N1CCC2(C(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 C31H37NO5 MW 503.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H37NO5/c1-20-7-6-8-23(17-20)19-36-27-12-10-25-21(2)26(30(34)37-29(25)22(27)3)11-13-28(33)32-16-15-31(35)14-5-4-9-24(31)18-32/h6-8,10,12,17,24,35H,4-5,9,11,13-16,18-19H2,1-3H3
InChIKey
HUDOGFZMHXVYKX-UHFFFAOYSA-N
Synonyms

3(3(4ahydroxy13456788aoctahydroisoquinolin2yl)3oxopropyl)48dimethyl7((3methylphenyl)methoxy)chromen2one
3(3(4ahydroxyoctahydroisoquinolin2(1H)yl)3oxopropyl)48dimethyl7((3methylbenzyl)oxy)2Hchromen2one
CC1=CC(=CC=C1)COC2=C(C3=C(C=C2)C(=C(C(=O)O3)CCC(=O)N4CCC5(CCCCC5C4)O)C)C
InChI=1SC31H37NO5c12076823(1720)19362712102521(2)26(30(34)3729(25)22(27)3)111328(33)32161531(35)1454924(31)1832h681012172435H4591113161819H213H3
MFCD10040846
ZINC000002111651
ZINC000011867135

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Available files

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