Vitas-M small molecule compound
3-[3-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-3-oxopropyl]-4,8-dimethyl-7-[(4-methylbenzyl)oxy]-2H-chromen-2-one
Catalog ID
STL461189
SMILES Cc1ccc(cc1)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/c1-20-7-9-23(10-8-20)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)15-5-4-6-24(31)18-32/h7-11,13,24,35H,4-6,12,14-19H2,1-3H3InChIKey
CBABYBUTWKSTFX-UHFFFAOYSA-NSynonyms
3(3(4ahydroxy13456788aoctahydroisoquinolin2yl)3oxopropyl)48dimethyl7((4methylphenyl)methoxy)chromen2one
3(3(4ahydroxyoctahydroisoquinolin2(1H)yl)3oxopropyl)48dimethyl7((4methylbenzyl)oxy)2Hchromen2one
CC1=CC=C(C=C1)COC2=C(C3=C(C=C2)C(=C(C(=O)O3)CCC(=O)N4CCC5(CCCCC5C4)O)C)C
InChI=1SC31H37NO5c1207923(10820)19362713112521(2)26(30(34)3729(25)22(27)3)121428(33)32171631(35)1554624(31)1832h711132435H46121419H213H3
MFCD10040849
ZINC000002109103
ZINC000011867149
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