Vitas-M small molecule compound
{[(1Z)-2-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-yl)-1-(4-methylcyclohex-3-en-1-yl)ethylidene]amino}oxidanide
Catalog ID
STL527114
SMILES [O-]/N=C(\C1CCC(=CC1)C)/CC1[NH+](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 C21H28N2O4 MW 372.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H28N2O4/c1-13-4-6-14(7-5-13)16(22-24)11-17-19-15(8-9-23(17)2)10-18-20(21(19)25-3)27-12-26-18/h4,10,14,17,24H,5-9,11-12H2,1-3H3/b22-16-InChIKey
LURJWDVAWXQBDF-JWGURIENSA-NSynonyms
858764-17-7(((1Z)2(4methoxy6methyl5678tetrahydro(13)dioxolo(45g)isoquinolin6ium5yl)1(4methylcyclohex3en1yl)ethylidene)amino)oxidanide
(~(Z))2(4methoxy6methyl5678tetrahydro(13)dioxolo(45g)isoquinolin6ium5yl)1(4methylcyclohex3en1yl)~(N)oxidoethanimine
858764177
9632903
InChI=1SC21H28N2O4c1134614(7513)16(2224)11171915(8923(17)2)101820(21(19)253)27122618h410141724H591112H213H3b2216
MFCD03006292
ZINC000020411770
ZINC000033957518
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