Vitas-M small molecule compound

7-[(2-chloro-4-fluorobenzyl)oxy]-3-[3-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-3-oxopropyl]-4-methyl-2H-chromen-2-one

Catalog ID
STL473477
SMILES Fc1ccc(c(c1)Cl)COc1ccc2c(c1)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 C29H31ClFNO5 MW 528.02 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H31ClFNO5/c1-18-23-8-7-22(36-17-19-5-6-21(31)14-25(19)30)15-26(23)37-28(34)24(18)9-10-27(33)32-13-12-29(35)11-3-2-4-20(29)16-32/h5-8,14-15,20,35H,2-4,9-13,16-17H2,1H3
InChIKey
VNBPNXWXVHZMKC-UHFFFAOYSA-N
Synonyms

3(3(4ahydroxy13456788aoctahydroisoquinolin2yl)3oxopropyl)7((2chloro4fluorophenyl)methoxy)4methylchromen2one
7((2chloro4fluorobenzyl)oxy)3(3(4ahydroxyoctahydroisoquinolin2(1H)yl)3oxopropyl)4methyl2Hchromen2one
CC1=C(C(=O)OC2=C1C=CC(=C2)OCC3=C(C=C(C=C3)F)Cl)CCC(=O)N4CCC5(CCCCC5C4)O
InChI=1SC29H31ClFNO5c118238722(3617195621(31)1425(19)30)1526(23)3728(34)24(18)91027(33)32131229(35)1132420(29)1632h5814152035H249131617H21H3
MFCD27962685
ZINC000002111872
ZINC000015955065

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Available files

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