Vitas-M small molecule compound
1-(1,3-benzodioxol-5-yl)-2-(biphenyl-4-yl)-2-hydroxy-2,5,6,7,8,9-hexahydro-3H-imidazo[1,2-a]azepin-1-ium
Catalog ID
STL327301
SMILES OC1(CN2C(=[N+]1c1ccc3c(c1)OCO3)CCCCC2)c1ccc(cc1)c1ccccc1
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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 C27H27N2O3 MW 427.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27N2O3/c30-27(22-12-10-21(11-13-22)20-7-3-1-4-8-20)18-28-16-6-2-5-9-26(28)29(27)23-14-15-24-25(17-23)32-19-31-24/h1,3-4,7-8,10-15,17,30H,2,5-6,9,16,18-19H2/q+1InChIKey
GCZBIQCMXLAJEH-UHFFFAOYSA-NSynonyms
1(13benzodioxol5yl)2(4phenylphenyl)356789hexahydroimidazo(12a)azepin4ium2ol
1(13benzodioxol5yl)2(biphenyl4yl)2hydroxy256789hexahydro3Himidazo(12a)azepin1ium
2((11biphenyl)4yl)1(benzo(d)(13)dioxol5yl)2hydroxy356789hexahydro2Himidazo(12a)azepin1iumbromide
C1CCC2=(N+)(CC1)CC(N2C3=CC4=C(C=C3)OCO4)(C5=CC=C(C=C5)C6=CC=CC=C6)O
InChI=1SC27H27N2O3c3027(22121021(111322)207314820)182816625926(28)29(27)2314152425(1723)32193124h1347810151730H2569161819H2q+1
MFCD01943335
OC1(CN2C(=(N+)1c1ccc3c(c1)OCO3)CCCCC2)c1ccc(cc1)c1ccccc1
OC1(CN2C(=(N+)1c1ccc3c(c1)OCO3)CCCCC2)c1ccc(cc1)c1ccccc1(Br)
ZINC000013765429
ZINC000017124226
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