Vitas-M small molecule compound
3-(4-chlorophenyl)-4-(1H-tetrazol-1-yl)-1-[3-(trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]butan-1-one
Catalog ID
STL313929
SMILES Clc1ccc(cc1)C(Cn1cnnn1)CC(=O)N1CCn2c(C1)nnc2C(F)(F)F
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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 C17H16ClF3N8O MW 440.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H16ClF3N8O/c18-13-3-1-11(2-4-13)12(8-28-10-22-25-26-28)7-15(30)27-5-6-29-14(9-27)23-24-16(29)17(19,20)21/h1-4,10,12H,5-9H2InChIKey
NDIBLQOADDPOER-UHFFFAOYSA-NSynonyms
1574326-24-11574326241
3(4chlorophenyl)4(1Htetrazol1yl)1(3(trifluoromethyl)56dihydro(124)triazolo(43a)pyrazin7(8H)yl)butan1one
3(4chlorophenyl)4(tetrazol1yl)1(3(trifluoromethyl)68dihydro5H(124)triazolo(43a)pyrazin7yl)butan1one
C1CN2C(=NN=C2C(F)(F)F)CN1C(=O)CC(CN3C=NN=N3)C4=CC=C(C=C4)Cl
InChI=1SC17H16ClF3N8Oc18133111(2413)12(8281022252628)715(30)27562914(927)232416(29)17(1920)21h141012H59H2
MFCD28030405
ZINC000095475973
ZINC000095475974
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