Vitas-M small molecule compound
2-hydroxy-1-(4-methoxyphenyl)-2-(3-nitrophenyl)-2,5,6,7,8,9-hexahydro-3H-imidazo[1,2-a]azepin-1-ium
Catalog ID
STL327298
SMILES COc1ccc(cc1)[N+]1=C2CCCCCN2CC1(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 C21H24N3O4 MW 382.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H24N3O4/c1-28-19-11-9-17(10-12-19)23-20-8-3-2-4-13-22(20)15-21(23,25)16-6-5-7-18(14-16)24(26)27/h5-7,9-12,14,25H,2-4,8,13,15H2,1H3/q+1InChIKey
BWKFRWKJOGXHGF-UHFFFAOYSA-NSynonyms
1(4methoxyphenyl)2(3nitrophenyl)356789hexahydroimidazo(12a)azepin4ium2ol
2hydroxy1(4methoxyphenyl)2(3nitrophenyl)256789hexahydro3Himidazo(12a)azepin1ium
2hydroxy1(4methoxyphenyl)2(3nitrophenyl)356789hexahydro2Himidazo(12a)azepin1iumbromide
COC1=CC=C(C=C1)N2C3=(N+)(CCCCC3)CC2(C4=CC(=CC=C4)(N+)(=O)(O))O
COc1ccc(cc1)(N+)1=C2CCCCCN2CC1(O)c1cccc(c1)(N+)(=O)(O)
COc1ccc(cc1)(N+)1=C2CCCCCN2CC1(O)c1cccc(c1)(N+)(=O)(O)(Br)
InChI=1SC21H24N3O4c1281911917(101219)232083241322(20)1521(2325)1665718(1416)24(26)27h579121425H2481315H21H3q+1
MFCD01943279
ZINC000017159645
ZINC000017159650
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