Vitas-M small molecule compound
7-[(2,5-dimethylbenzyl)oxy]-3-[2-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-2-oxoethyl]-4,8-dimethyl-2H-chromen-2-one
Catalog ID
STL461169
SMILES Cc1ccc(c(c1)COc1ccc2c(c1C)oc(=O)c(c2C)CC(=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/c1-19-8-9-20(2)23(15-19)18-36-27-11-10-25-21(3)26(30(34)37-29(25)22(27)4)16-28(33)32-14-13-31(35)12-6-5-7-24(31)17-32/h8-11,15,24,35H,5-7,12-14,16-18H2,1-4H3InChIKey
RTPOSLANUKFJHD-UHFFFAOYSA-NSynonyms
3(2(4ahydroxy13456788aoctahydroisoquinolin2yl)2oxoethyl)7((25dimethylphenyl)methoxy)48dimethylchromen2one
7((25dimethylbenzyl)oxy)3(2(4ahydroxyoctahydroisoquinolin2(1H)yl)2oxoethyl)48dimethyl2Hchromen2one
CC1=CC(=C(C=C1)C)COC2=C(C3=C(C=C2)C(=C(C(=O)O3)CC(=O)N4CCC5(CCCCC5C4)O)C)C
InChI=1SC31H37NO5c1198920(2)23(1519)18362711102521(3)26(30(34)3729(25)22(27)4)1628(33)32141331(35)1265724(31)1732h811152435H5712141618H214H3
MFCD10040833
ZINC000002111834
ZINC000011867097
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