Vitas-M small molecule compound
3-(4-methoxyphenyl)-1-(2-{[(1S,2R,5R)-5-methyl-2-(propan-2-yl)cyclohexyl]oxy}-2-oxoethyl)-1,5,6,7,8,9-hexahydroimidazo[1,2-a]azepin-4-ium
Catalog ID
STL581414
SMILES COc1ccc(cc1)c1cn(c2[n+]1CCCCC2)CC(=O)O[C@H]1C[C@H](C)CC[C@@H]1C(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 C27H39N2O3 MW 439.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H39N2O3/c1-19(2)23-14-9-20(3)16-25(23)32-27(30)18-28-17-24(21-10-12-22(31-4)13-11-21)29-15-7-5-6-8-26(28)29/h10-13,17,19-20,23,25H,5-9,14-16,18H2,1-4H3/q+1/t20-,23-,25+/m1/s1InChIKey
QPNKEIUKHMGPED-XRODADMRSA-NSynonyms
3(4methoxyphenyl)1(2(((1S2R5R)5methyl2(propan2yl)cyclohexyl)oxy)2oxoethyl)156789hexahydroimidazo(12a)azepin4ium
InChI=1SC27H39N2O3c119(2)2314920(3)1625(23)3227(30)18281724(21101222(314)131121)2915756826(28)29h10131719202325H59141618H214H3q+1t202325+m1s1
Check stock
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Check stock on Vitas-MAvailable files
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