Vitas-M small molecule compound

(2E,4E)-2,3-dichloro-4-(2-{[5-(4-fluorophenyl)-7-(pentafluoroethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]carbonyl}hydrazinylidene)but-2-enoic acid

Catalog ID
STL583550
SMILES O=C(c1cc2n(n1)C(CC(N2)c1ccc(cc1)F)C(C(F)(F)F)(F)F)N/N=C/C(=C(/C(=O)O)\Cl)/Cl

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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 C19H13Cl2F6N5O3 MW 544.24 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H13Cl2F6N5O3/c20-10(15(21)17(34)35)7-28-30-16(33)12-6-14-29-11(8-1-3-9(22)4-2-8)5-13(32(14)31-12)18(23,24)19(25,26)27/h1-4,6-7,11,13,29H,5H2,(H,30,33)(H,34,35)/b15-10+,28-7+
InChIKey
CHUMCKDQVNEPHZ-NYPMCOIKSA-N
Synonyms
827595-06-2
(2E4E)23dichloro4(2((5(4fluorophenyl)7(pentafluoroethyl)4567tetrahydropyrazolo(15a)pyrimidin2yl)carbonyl)hydrazinylidene)but2enoicacid
827595062
InChI=1SC19H13Cl2F6N5O3c2010(15(21)17(34)35)7283016(33)126142911(8139(22)428)513(32(14)3112)18(2324)19(2526)27h1467111329H5H2(H3033)(H3435)b1510+287+

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Available files

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