Vitas-M small molecule compound
3-(4-chlorophenyl)-1-(2-{[5-methyl-2-(propan-2-yl)cyclohexyl]oxy}-2-oxoethyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-1-ium
Catalog ID
STL330214
SMILES CC1CCC(C(C1)OC(=O)C[n+]1cc(n2c1CCCCC2)c1ccc(cc1)Cl)C(C)C
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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 C26H36ClN2O2 MW 444.04 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H36ClN2O2/c1-18(2)22-13-8-19(3)15-24(22)31-26(30)17-28-16-23(20-9-11-21(27)12-10-20)29-14-6-4-5-7-25(28)29/h9-12,16,18-19,22,24H,4-8,13-15,17H2,1-3H3/q+1InChIKey
OWJNNMGFSZEVIL-UHFFFAOYSA-NSynonyms
(5methyl2propan2ylcyclohexyl)2(3(4chlorophenyl)6789tetrahydro5Himidazo(12a)azepin1ium1yl)acetate
3(4chlorophenyl)1(2((5methyl2(propan2yl)cyclohexyl)oxy)2oxoethyl)6789tetrahydro5Himidazo(12a)azepin1ium
CC1CCC(C(C1)OC(=O)C(n+)1cc(n2c1CCCCC2)c1ccc(cc1)Cl)C(C)C
CC1CCC(C(C1)OC(=O)C(N+)2=C3CCCCCN3C(=C2)C4=CC=C(C=C4)Cl)C(C)C
InChI=1SC26H36ClN2O2c118(2)2213819(3)1524(22)3126(30)17281623(2091121(27)121020)2914645725(28)29h9121618192224H48131517H213H3q+1
MFCD00992993
ZINC000009086611
ZINC000017180848
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