Vitas-M small molecule compound

6-(2-methyl-1H-benzimidazol-1-yl)-3-(pentafluoroethyl)[1,2,4]triazolo[3,4-a]phthalazine

Catalog ID
STK774718
SMILES Cc1nc2c(n1c1nn3c(c4c1cccc4)nnc3C(C(F)(F)F)(F)F)cccc2

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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 C19H11F5N6 MW 418.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H11F5N6/c1-10-25-13-8-4-5-9-14(13)29(10)16-12-7-3-2-6-11(12)15-26-27-17(30(15)28-16)18(20,21)19(22,23)24/h2-9H,1H3
InChIKey
VIWSOHCKTOSPPW-UHFFFAOYSA-N
Synonyms

6(2methyl1Hbenzimidazol1yl)3(pentafluoroethyl)(124)triazolo(34a)phthalazine
6(2methylbenzimidazol1yl)3(11222pentafluoroethyl)(124)triazolo(34a)phthalazine
CC1=NC2=CC=CC=C2N1C3=NN4C(=NN=C4C(C(F)(F)F)(F)F)C5=CC=CC=C53
InChI=1SC19H11F5N6c1102513845914(13)29(10)1612732611(12)15262717(30(15)2816)18(2021)19(2223)24h29H1H3
MFCD04061188
ZINC000001446105
ZINC01446105
ZINC1446105

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Available files

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