Vitas-M small molecule compound

7-[(3,5-dimethylbenzyl)oxy]-3-[2-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-2-oxoethyl]-4,8-dimethyl-2H-chromen-2-one

Catalog ID
STL461162
SMILES Cc1cc(COc2ccc3c(c2C)oc(=O)c(c3C)CC(=O)N2CCC3(C(C2)CCCC3)O)cc(c1)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/c1-19-13-20(2)15-23(14-19)18-36-27-9-8-25-21(3)26(30(34)37-29(25)22(27)4)16-28(33)32-12-11-31(35)10-6-5-7-24(31)17-32/h8-9,13-15,24,35H,5-7,10-12,16-18H2,1-4H3
InChIKey
OBENKEVCDXEYKG-UHFFFAOYSA-N
Synonyms

3(2(4ahydroxy13456788aoctahydroisoquinolin2yl)2oxoethyl)7((35dimethylphenyl)methoxy)48dimethylchromen2one
7((35dimethylbenzyl)oxy)3(2(4ahydroxyoctahydroisoquinolin2(1H)yl)2oxoethyl)48dimethyl2Hchromen2one
CC1=CC(=CC(=C1)COC2=C(C3=C(C=C2)C(=C(C(=O)O3)CC(=O)N4CCC5(CCCCC5C4)O)C)C)C
InChI=1SC31H37NO5c1191320(2)1523(1419)183627982521(3)26(30(34)3729(25)22(27)4)1628(33)32121131(35)1065724(31)1732h8913152435H5710121618H214H3
MFCD10040826
ZINC000002109778
ZINC000011867079

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Available files

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