Vitas-M small molecule compound
2-(3,4-dimethoxyphenyl)-2-hydroxy-1-(4-methoxyphenyl)-1,2,3,5,6,7,8,9-octahydroimidazo[1,2-a]azepin-4-ium
Catalog ID
STL047001
SMILES COc1ccc(cc1)N1C2=[N+](CC1(O)c1ccc(c(c1)OC)OC)CCCCC2
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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 C23H29N2O4 MW 397.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H29N2O4/c1-27-19-11-9-18(10-12-19)25-22-7-5-4-6-14-24(22)16-23(25,26)17-8-13-20(28-2)21(15-17)29-3/h8-13,15,26H,4-7,14,16H2,1-3H3/q+1InChIKey
ZKJZSTCOHKJOLM-UHFFFAOYSA-NSynonyms
2(34dimethoxyphenyl)1(4methoxyphenyl)356789hexahydroimidazo(12a)azepin4ium2ol
2(34dimethoxyphenyl)2hydroxy1(4methoxyphenyl)12356789octahydroimidazo(12a)azepin4ium
COC1=CC=C(C=C1)N2C3=(N+)(CCCCC3)CC2(C4=CC(=C(C=C4)OC)OC)O
COc1ccc(cc1)N1C2=(N+)(CC1(O)c1ccc(c(c1)OC)OC)CCCCC2
InChI=1SC23H29N2O4c1271911918(101219)252275461424(22)1623(2526)1781320(282)21(1517)293h8131526H471416H213H3q+1
ZINC000017147091
ZINC000017147094
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