Vitas-M small molecule compound
2-hydroxy-1-(4-methoxyphenyl)-2-(3-nitrophenyl)-2,3,5,6,7,8-hexahydroimidazo[1,2-a]pyridin-1-ium
Catalog ID
STK973574
SMILES COc1ccc(cc1)[N+]1=C2CCCCN2CC1(O)c1cccc(c1)[N+](=O)[O-]
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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 C20H22N3O4 MW 368.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22N3O4/c1-27-18-10-8-16(9-11-18)22-19-7-2-3-12-21(19)14-20(22,24)15-5-4-6-17(13-15)23(25)26/h4-6,8-11,13,24H,2-3,7,12,14H2,1H3/q+1InChIKey
BUAGDZXBZRLSJI-UHFFFAOYSA-NSynonyms
1(4methoxyphenyl)2(3nitrophenyl)5678tetrahydro3Himidazo(12a)pyridin4ium2ol
2hydroxy1(4methoxyphenyl)2(3nitrophenyl)235678hexahydroimidazo(12a)pyridin1ium
2hydroxy1(4methoxyphenyl)2(3nitrophenyl)235678hexahydroimidazo(12a)pyridin1iumbromide
COC1=CC=C(C=C1)N2C3=(N+)(CCCC3)CC2(C4=CC(=CC=C4)(N+)(=O)(O))O
COc1ccc(cc1)(N+)1=C2CCCCN2CC1(O)c1cccc(c1)(N+)(=O)(O)
COc1ccc(cc1)(N+)1=C2CCCCN2CC1(O)c1cccc(c1)(N+)(=O)(O)(Br)
InChI=1SC20H22N3O4c1271810816(91118)22197231221(19)1420(2224)1554617(1315)23(25)26h468111324H2371214H21H3q+1
MFCD01944389
ZINC000017147231
ZINC000017147234
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