Vitas-M small molecule compound
(E)-1-(3-ethoxy-4-{[3-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)prop-2-yn-1-yl]oxy}phenyl)-N-hydroxymethanimine
Catalog ID
STL527400
SMILES CCOc1cc(/C=N/O)ccc1OCC#CC1N(C)CCc2c1c(OC)c1c(c2)OCO1
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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 C24H26N2O6 MW 438.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H26N2O6/c1-4-29-20-12-16(14-25-27)7-8-19(20)30-11-5-6-18-22-17(9-10-26(18)2)13-21-23(24(22)28-3)32-15-31-21/h7-8,12-14,18,27H,4,9-11,15H2,1-3H3/b25-14+InChIKey
IUMMRDLSWMGRRM-AFUMVMLFSA-NSynonyms
858744-89-5(~(N)~(E))~(N)((3ethoxy4(3(4methoxy6methyl78dihydro5~(H)(13)dioxolo(45g)isoquinolin5yl)prop2ynoxy)phenyl)methylidene)hydroxylamine
(E)1(3ethoxy4((3(4methoxy6methyl5678tetrahydro(13)dioxolo(45g)isoquinolin5yl)prop2yn1yl)oxy)phenyl)Nhydroxymethanimine
(E)3ethoxy4((3(4methoxy6methyl5678tetrahydro(13)dioxolo(45g)isoquinolin5yl)prop2yn1yl)oxy)benzaldehydeoxime
858744895
9631771
CCOc1cc(C=NO)ccc1OCC#CC1N(C)CCc2c1c(OC)c1c(c2)OCO1
InChI=1SC24H26N2O6c1429201216(142527)7819(20)301156182217(91026(18)2)132123(24(22)283)32153121h7812141827H491115H213H3b2514+
MFCD03659913
ZINC000002129693
ZINC000009033425
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