Vitas-M small molecule compound
5-butyl-3-(3-chloro-4-methylphenyl)-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-1-yl pentanoate
Catalog ID
STK716154
SMILES CCCCC(=O)Oc1cn(c2c1c1nc3c(n1c(n2)CCCC)cccc3)c1ccc(c(c1)Cl)C
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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 C28H29ClN4O2 MW 489.02 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H29ClN4O2/c1-4-6-12-24-31-27-26(28-30-21-10-8-9-11-22(21)33(24)28)23(35-25(34)13-7-5-2)17-32(27)19-15-14-18(3)20(29)16-19/h8-11,14-17H,4-7,12-13H2,1-3H3InChIKey
JFBMGYGUVSZAAO-UHFFFAOYSA-NSynonyms
885202-32-45butyl3(3chloro4methylphenyl)3Hbenzo(45)imidazo(12c)pyrrolo(32e)pyrimidin1ylpentanoate
5butyl3(3chloro4methylphenyl)3Hpyrrolo(2345)pyrimido(16a)benzimidazol1ylpentanoate
885202324
CCCCC1=NC2=C(C(=CN2C3=CC(=C(C=C3)C)Cl)OC(=O)CCCC)C4=NC5=CC=CC=C5N14
InChI=1SC28H29ClN4O2c1461224312726(28302110891122(21)33(24)28)23(3525(34)13752)1732(27)19151418(3)20(29)1619h8111417H471213H213H3
MFCD06593755
ZINC000009242789
ZINC09242789
ZINC9242789
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