Vitas-M small molecule compound
2-[(3-benzyl-4-methyl-2-oxo-2H-chromen-7-yl)oxy]-N-[2-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-2-oxoethyl]acetamide
Catalog ID
STL461145
SMILES O=C(COc1ccc2c(c1)oc(=O)c(c2C)Cc1ccccc1)NCC(=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 C30H34N2O6 MW 518.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H34N2O6/c1-20-24-11-10-23(16-26(24)38-29(35)25(20)15-21-7-3-2-4-8-21)37-19-27(33)31-17-28(34)32-14-13-30(36)12-6-5-9-22(30)18-32/h2-4,7-8,10-11,16,22,36H,5-6,9,12-15,17-19H2,1H3,(H,31,33)InChIKey
IBWNNXVKFROASK-UHFFFAOYSA-NSynonyms
2((3benzyl4methyl2oxo2Hchromen7yl)oxy)N(2(4ahydroxyoctahydroisoquinolin2(1H)yl)2oxoethyl)acetamide
CC1=C(C(=O)OC2=C1C=CC(=C2)OCC(=O)NCC(=O)N3CCC4(CCCCC4C3)O)CC5=CC=CC=C5
InChI=1SC30H34N2O6c12024111023(1626(24)3829(35)25(20)15217324821)371927(33)311728(34)32141330(36)1265922(30)1832h24781011162236H56912151719H21H3(H3133)
MFCD10040810
N(2(4ahydroxy13456788aoctahydroisoquinolin2yl)2oxoethyl)2(3benzyl4methyl2oxochromen7yl)oxyacetamide
ZINC000002110695
ZINC000011867040
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