Vitas-M small molecule compound
3-[3-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-3-oxopropyl]-4,8-dimethyl-7-[(2-methylbenzyl)oxy]-2H-chromen-2-one
Catalog ID
STL461202
SMILES O=C(N1CCC2(C(C1)CCCC2)O)CCc1c(=O)oc2c(c1C)ccc(c2C)OCc1ccccc1C
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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/c1-20-8-4-5-9-23(20)19-36-27-13-11-25-21(2)26(30(34)37-29(25)22(27)3)12-14-28(33)32-17-16-31(35)15-7-6-10-24(31)18-32/h4-5,8-9,11,13,24,35H,6-7,10,12,14-19H2,1-3H3InChIKey
MQIRGEZZIJLQNY-UHFFFAOYSA-NSynonyms
3(3(4ahydroxy13456788aoctahydroisoquinolin2yl)3oxopropyl)48dimethyl7((2methylphenyl)methoxy)chromen2one
3(3(4ahydroxyoctahydroisoquinolin2(1H)yl)3oxopropyl)48dimethyl7((2methylbenzyl)oxy)2Hchromen2one
CC1=CC=CC=C1COC2=C(C3=C(C=C2)C(=C(C(=O)O3)CCC(=O)N4CCC5(CCCCC5C4)O)C)C
InChI=1SC31H37NO5c120845923(20)19362713112521(2)26(30(34)3729(25)22(27)3)121428(33)32171631(35)15761024(31)1832h458911132435H6710121419H213H3
MFCD10040860
ZINC000002109731
ZINC000011867184
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