Vitas-M small molecule compound
1-(1,3-benzodioxol-5-yl)-2-hydroxy-2-(4-methylphenyl)-2,5,6,7,8,9-hexahydro-3H-imidazo[1,2-a]azepin-1-ium
Catalog ID
STL004436
SMILES Cc1ccc(cc1)C1(O)CN2C(=[N+]1c1ccc3c(c1)OCO3)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 C22H25N2O3 MW 365.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H25N2O3/c1-16-6-8-17(9-7-16)22(25)14-23-12-4-2-3-5-21(23)24(22)18-10-11-19-20(13-18)27-15-26-19/h6-11,13,25H,2-5,12,14-15H2,1H3/q+1InChIKey
PSOWKQIGUHITRQ-UHFFFAOYSA-NSynonyms
1(13benzodioxol5yl)2(4methylphenyl)356789hexahydroimidazo(12a)azepin4ium2ol
1(13benzodioxol5yl)2hydroxy2(4methylphenyl)256789hexahydro3Himidazo(12a)azepin1ium
1(benzo(d)(13)dioxol5yl)2hydroxy2(ptolyl)356789hexahydro2Himidazo(12a)azepin1iumbromide
CC1=CC=C(C=C1)C2(C(N+)3=C(N2C4=CC5=C(C=C4)OCO5)CCCCC3)O
Cc1ccc(cc1)C1(O)CN2C(=(N+)1c1ccc3c(c1)OCO3)CCCCC2
Cc1ccc(cc1)C1(O)CN2C(=(N+)1c1ccc3c(c1)OCO3)CCCCC2(Br)
InChI=1SC22H25N2O3c1166817(9716)22(25)142312423521(23)24(22)1810111920(1318)27152619h6111325H25121415H21H3q+1
MFCD01960056
ZINC000013777626
ZINC000013777628
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