Vitas-M small molecule compound
7-[(2-chlorobenzyl)oxy]-3-[3-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-3-oxopropyl]-4-methyl-2H-chromen-2-one
Catalog ID
STL461194
SMILES O=C(N1CCC2(C(C1)CCCC2)O)CCc1c(=O)oc2c(c1C)ccc(c2)OCc1ccccc1Cl
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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 C29H32ClNO5 MW 510.03 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H32ClNO5/c1-19-23-10-9-22(35-18-20-6-2-3-8-25(20)30)16-26(23)36-28(33)24(19)11-12-27(32)31-15-14-29(34)13-5-4-7-21(29)17-31/h2-3,6,8-10,16,21,34H,4-5,7,11-15,17-18H2,1H3InChIKey
NYAYOALPDBXUGU-UHFFFAOYSA-NSynonyms
3(3(4ahydroxy13456788aoctahydroisoquinolin2yl)3oxopropyl)7((2chlorophenyl)methoxy)4methylchromen2one
7((2chlorobenzyl)oxy)3(3(4ahydroxyoctahydroisoquinolin2(1H)yl)3oxopropyl)4methyl2Hchromen2one
CC1=C(C(=O)OC2=C1C=CC(=C2)OCC3=CC=CC=C3Cl)CCC(=O)N4CCC5(CCCCC5C4)O
InChI=1SC29H32ClNO5c1192310922(351820623825(20)30)1626(23)3628(33)24(19)111227(32)31151429(34)1354721(29)1731h236810162134H45711151718H21H3
MFCD10040852
ZINC000002111846
ZINC000011867161
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