Vitas-M small molecule compound

7-[(2,4-dichlorobenzyl)oxy]-3-[2-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-2-oxoethyl]-4-methyl-2H-chromen-2-one

Catalog ID
STL005295
SMILES Clc1ccc(c(c1)Cl)COc1ccc2c(c1)oc(=O)c(c2C)CC(=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 C28H29Cl2NO5 MW 530.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H29Cl2NO5/c1-17-22-8-7-21(35-16-18-5-6-20(29)12-24(18)30)13-25(22)36-27(33)23(17)14-26(32)31-11-10-28(34)9-3-2-4-19(28)15-31/h5-8,12-13,19,34H,2-4,9-11,14-16H2,1H3
InChIKey
KCIBJVLTXYOQRQ-UHFFFAOYSA-N
Synonyms
861627-50-1
3(2(4ahydroxy13456788aoctahydroisoquinolin2yl)2oxoethyl)7((24dichlorophenyl)methoxy)4methylchromen2one
7((24dichlorobenzyl)oxy)3(2(4ahydroxyoctahydroisoquinolin2(1H)yl)2oxoethyl)4methyl2Hchromen2one
861627501
CC1=C(C(=O)OC2=C1C=CC(=C2)OCC3=C(C=C(C=C3)Cl)Cl)CC(=O)N4CCC5(CCCCC5C4)O
InChI=1SC28H29Cl2NO5c117228721(3516185620(29)1224(18)30)1325(22)3627(33)23(17)1426(32)31111028(34)932419(28)1531h5812131934H249111416H21H3
MFCD05684541
ZINC000097954920
ZINC000097954923

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Available files

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