Vitas-M small molecule compound

N-[3-(1H-benzimidazol-2-yl)-4,5-dimethyl-1-(tetrahydrofuran-2-ylmethyl)-1H-pyrrol-2-yl]-4-fluorobenzamide

Catalog ID
STK628498
SMILES Fc1ccc(cc1)C(=O)Nc1c(c2nc3c([nH]2)cccc3)c(c(n1CC1CCCO1)C)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 C25H25FN4O2 MW 432.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25FN4O2/c1-15-16(2)30(14-19-6-5-13-32-19)24(29-25(31)17-9-11-18(26)12-10-17)22(15)23-27-20-7-3-4-8-21(20)28-23/h3-4,7-12,19H,5-6,13-14H2,1-2H3,(H,27,28)(H,29,31)
InChIKey
HXRKPYXTLYZXLZ-UHFFFAOYSA-N
Synonyms
921111-05-9
921111059
CC1=C(N(C(=C1C2=NC3=CC=CC=C3N2)NC(=O)C4=CC=C(C=C4)F)CC5CCCO5)C
Fc1ccc(cc1)C(=O)Nc1c(c2nc3c((nH)2)cccc3)c(c(n1CC1CCCO1)C)C
InChI=1SC25H25FN4O2c11516(2)30(141965133219)24(2925(31)1791118(26)121017)22(15)232720734821(20)2823h3471219H561314H212H3(H2728)(H2931)
MFCD08749075
N(3(1Hbenzimidazol2yl)45dimethyl1(oxolan2ylmethyl)pyrrol2yl)4fluorobenzamide
N(3(1HBENZIMIDAZOL2YL)45DIMETHYL1(TETRAHYDRO2FURANYLMETHYL)1HPYRROL2YL)4FLUOROBENZAMIDE
N(3(1Hbenzimidazol2yl)45dimethyl1(tetrahydrofuran2ylmethyl)1Hpyrrol2yl)4fluorobenzamide
N(3(1Hbenzo(d)imidazol2yl)45dimethyl1((tetrahydrofuran2yl)methyl)1Hpyrrol2yl)4fluorobenzamide
ZINC000009060439
ZINC000009060440

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.