Vitas-M small molecule compound
3-benzyl-7-[2-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-2-oxoethoxy]-4-methyl-2H-chromen-2-one
Catalog ID
STL461103
SMILES O=C(N1CCC2(C(C1)CCCC2)O)COc1ccc2c(c1)oc(=O)c(c2C)Cc1ccccc1
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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(16-25(23)34-27(31)24(19)15-20-7-3-2-4-8-20)33-18-26(30)29-14-13-28(32)12-6-5-9-21(28)17-29/h2-4,7-8,10-11,16,21,32H,5-6,9,12-15,17-18H2,1H3InChIKey
GBHPWWJUMFPQSY-UHFFFAOYSA-NSynonyms
3benzyl7(2(4ahydroxyoctahydroisoquinolin2(1H)yl)2oxoethoxy)4methyl2Hchromen2one
7(2(4ahydroxy13456788aoctahydroisoquinolin2yl)2oxoethoxy)3benzyl4methylchromen2one
CC1=C(C(=O)OC2=C1C=CC(=C2)OCC(=O)N3CCC4(CCCCC4C3)O)CC5=CC=CC=C5
InChI=1SC28H31NO5c11923111022(1625(23)3427(31)24(19)15207324820)331826(30)29141328(32)1265921(28)1729h24781011162132H56912151718H21H3
MFCD10040768
ZINC000002110760
ZINC000011866940
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