Vitas-M small molecule compound
10-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-2,3,4,10-tetrahydropyrimido[1,2-a]benzimidazol-1-ium
Catalog ID
STL137699
SMILES COc1cc(ccc1OC)C(=O)Cn1c2=[NH+]CCCn2c2c1cccc2
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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 C20H22N3O3 MW 352.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21N3O3/c1-25-18-9-8-14(12-19(18)26-2)17(24)13-23-16-7-4-3-6-15(16)22-11-5-10-21-20(22)23/h3-4,6-9,12H,5,10-11,13H2,1-2H3/p+1InChIKey
JXVDBTMDDYDSRF-UHFFFAOYSA-OSynonyms
1(34dimethoxyphenyl)2(1234tetrahydropyrimido(12a)benzimidazol5ium10yl)ethanone
10(2(34dimethoxyphenyl)2oxoethyl)23410tetrahydropyrimido(12a)benzimidazol1ium
COC1=C(C=C(C=C1)C(=O)CN2C3=CC=CC=C3(N+)4=C2NCCC4)OC
COc1cc(ccc1OC)C(=O)Cn1c2=(NH+)CCCn2c2c1cccc2
InChI=1SC20H21N3O3c125189814(1219(18)262)17(24)132316743615(16)22115102120(22)23h346912H5101113H212H3p+1
ZINC000000854872
ZINC00854872
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