Vitas-M small molecule compound
5-butyl-3-(4-fluorobenzyl)-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-1-yl pentanoate
Catalog ID
STK716182
SMILES CCCCC(=O)Oc1cn(c2c1c1nc3c(n1c(n2)CCCC)cccc3)Cc1ccc(cc1)F
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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 C28H29FN4O2 MW 472.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H29FN4O2/c1-3-5-11-24-31-27-26(28-30-21-9-7-8-10-22(21)33(24)28)23(35-25(34)12-6-4-2)18-32(27)17-19-13-15-20(29)16-14-19/h7-10,13-16,18H,3-6,11-12,17H2,1-2H3InChIKey
PKBNTCUALFSNJV-UHFFFAOYSA-NSynonyms
885204-38-65butyl3(4fluorobenzyl)3Hbenzo(45)imidazo(12c)pyrrolo(32e)pyrimidin1ylpentanoate
5butyl3(4fluorobenzyl)3Hpyrrolo(2345)pyrimido(16a)benzimidazol1ylpentanoate
885204386
CCCCC1=NC2=C(C(=CN2CC3=CC=C(C=C3)F)OC(=O)CCCC)C4=NC5=CC=CC=C5N14
InChI=1SC28H29FN4O2c1351124312726(2830219781022(21)33(24)28)23(3525(34)12642)1832(27)1719131520(29)161419h710131618H36111217H212H3
MFCD06594877
ZINC000009242937
ZINC09242937
ZINC9242937
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