Vitas-M small molecule compound

ethyl 1-(1-phenyl-1H-tetrazol-5-yl)-5-(2,3,4,5-tetrafluorophenyl)-1H-pyrazole-4-carboxylate

Catalog ID
STK779945
SMILES CCOC(=O)c1cnn(c1c1cc(F)c(c(c1F)F)F)c1nnnn1c1ccccc1

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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 C19H12F4N6O2 MW 432.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H12F4N6O2/c1-2-31-18(30)12-9-24-29(17(12)11-8-13(20)15(22)16(23)14(11)21)19-25-26-27-28(19)10-6-4-3-5-7-10/h3-9H,2H2,1H3
InChIKey
SKVUTZXKNFKBIO-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=C(N(N=C1)C2=NN=NN2C3=CC=CC=C3)C4=CC(=C(C(=C4F)F)F)F
ethyl1(1phenyl1Htetrazol5yl)5(2345tetrafluorophenyl)1Hpyrazole4carboxylate
ethyl1(1phenyltetrazol5yl)5(2345tetrafluorophenyl)pyrazole4carboxylate
InChI=1SC19H12F4N6O2c123118(30)1292429(17(12)11813(20)15(22)16(23)14(11)21)1925262728(19)106435710h39H2H21H3
MFCD05859526
ZINC000001430498
ZINC01430498
ZINC1430498

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Available files

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