Vitas-M small molecule compound
3-(4-chlorobenzyl)-5-(2-methylpropyl)-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-1-yl 3-methylbutanoate
Catalog ID
STK716134
SMILES CC(CC(=O)Oc1cn(c2c1c1nc3c(n1c(n2)CC(C)C)cccc3)Cc1ccc(cc1)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/c1-17(2)13-24-31-27-26(28-30-21-7-5-6-8-22(21)33(24)28)23(35-25(34)14-18(3)4)16-32(27)15-19-9-11-20(29)12-10-19/h5-12,16-18H,13-15H2,1-4H3InChIKey
LQYMHDVKUZDEOV-UHFFFAOYSA-NSynonyms
885200-79-33(4chlorobenzyl)5(2methylpropyl)3Hpyrrolo(2345)pyrimido(16a)benzimidazol1yl3methylbutanoate
3(4chlorobenzyl)5isobutyl3Hbenzo(45)imidazo(12c)pyrrolo(32e)pyrimidin1yl3methylbutanoate
885200793
CC(C)CC1=NC2=C(C(=CN2CC3=CC=C(C=C3)Cl)OC(=O)CC(C)C)C4=NC5=CC=CC=C5N14
InChI=1SC28H29ClN4O2c117(2)1324312726(283021756822(21)33(24)28)23(3525(34)1418(3)4)1632(27)151991120(29)121019h5121618H1315H214H3
MFCD06613312
ZINC000009446246
ZINC09446246
ZINC9446246
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