Vitas-M small molecule compound
1-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-(4-methylphenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-1-ium bromide
Catalog ID
STK019276
SMILES Cc1ccc(cc1)c1cn2c([n+]1c1c(=O)n(n(c1C)C)c1ccccc1)CCCCC2.[Br-]
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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 C26H29BrN4O MW 493.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H29N4O.BrH/c1-19-13-15-21(16-14-19)23-18-28-17-9-5-8-12-24(28)29(23)25-20(2)27(3)30(26(25)31)22-10-6-4-7-11-22;/h4,6-7,10-11,13-16,18H,5,8-9,12,17H2,1-3H3;1H/q+1;/p-1InChIKey
YRCRDVGTTCJFPK-UHFFFAOYSA-MSynonyms
1(15dimethyl3oxo2phenyl23dihydro1Hpyrazol4yl)2(4methylphenyl)6789tetrahydro5Himidazo(12a)azepin1iumbromide
15dimethyl4(2(4methylphenyl)6789tetrahydro5Himidazo(12a)azepin4ium1yl)2phenylpyrazol3onebromide
CC1=CC=C(C=C1)C2=C(N+)3=C(N2C4=C(N(N(C4=O)C5=CC=CC=C5)C)C)CCCCC3(Br)
Cc1ccc(cc1)c1cn2c((n+)1c1c(=O)n(n(c1C)C)c1ccccc1)CCCCC2(Br)
InChI=1SC26H29N4OBrHc119131521(161419)231828179581224(28)29(23)2520(2)27(3)30(26(25)31)22106471122h4671011131618H5891217H213H31Hq+1p1
MFCD01419550
STK019276
ZINC000004588954
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