Vitas-M small molecule compound

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

Catalog ID
STK991318
SMILES COCCCn1c(C)c(c(c1NC(=O)c1ccccc1F)c1nc2c([nH]1)cccc2)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 C24H25FN4O2 MW 420.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H25FN4O2/c1-15-16(2)29(13-8-14-31-3)23(28-24(30)17-9-4-5-10-18(17)25)21(15)22-26-19-11-6-7-12-20(19)27-22/h4-7,9-12H,8,13-14H2,1-3H3,(H,26,27)(H,28,30)
InChIKey
ZHLMKBDJHBOFMS-UHFFFAOYSA-N
Synonyms
921108-97-6
921108976
CC1=C(N(C(=C1C2=NC3=CC=CC=C3N2)NC(=O)C4=CC=CC=C4F)CCCOC)C
COCCCn1c(C)c(c(c1NC(=O)c1ccccc1F)c1nc2c((nH)1)cccc2)C
InChI=1SC24H25FN4O2c11516(2)29(13814313)23(2824(30)179451018(17)25)21(15)22261911671220(19)2722h47912H81314H213H3(H2627)(H2830)
MFCD08748040
N(3(1Hbenzimidazol2yl)1(3methoxypropyl)45dimethyl1Hpyrrol2yl)2fluorobenzamide
N(3(1Hbenzimidazol2yl)1(3methoxypropyl)45dimethylpyrrol2yl)2fluorobenzamide
N(3(1Hbenzo(d)imidazol2yl)1(3methoxypropyl)45dimethyl1Hpyrrol2yl)2fluorobenzamide
ZINC000009060285
ZINC09060285
ZINC9060285

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Available files

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