Vitas-M small molecule compound
7-(benzyloxy)-3-[2-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-2-oxoethyl]-4-methyl-2H-chromen-2-one
Catalog ID
STL461173
SMILES O=C(N1CCC2(C(C1)CCCC2)O)Cc1c(=O)oc2c(c1C)ccc(c2)OCc1ccccc1
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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 C28H31NO5 MW 461.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H31NO5/c1-19-23-11-10-22(33-18-20-7-3-2-4-8-20)15-25(23)34-27(31)24(19)16-26(30)29-14-13-28(32)12-6-5-9-21(28)17-29/h2-4,7-8,10-11,15,21,32H,5-6,9,12-14,16-18H2,1H3InChIKey
RSBLEVQCACWQDW-UHFFFAOYSA-NSynonyms
3(2(4ahydroxy13456788aoctahydroisoquinolin2yl)2oxoethyl)4methyl7phenylmethoxychromen2one
7(benzyloxy)3(2(4ahydroxyoctahydroisoquinolin2(1H)yl)2oxoethyl)4methyl2Hchromen2one
CC1=C(C(=O)OC2=C1C=CC(=C2)OCC3=CC=CC=C3)CC(=O)N4CCC5(CCCCC5C4)O
InChI=1SC28H31NO5c11923111022(3318207324820)1525(23)3427(31)24(19)1626(30)29141328(32)1265921(28)1729h24781011152132H56912141618H21H3
MFCD10040837
ZINC000002111631
ZINC000011867108
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