Vitas-M small molecule compound
3-(4-bromophenyl)-1-(8-imino-8,9-dihydro-7H-[1,2,4]triazolo[1,5-d][1,2,4]triazepin-5-yl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol
Catalog ID
STL438375
SMILES FC(C1(O)CC(=NN1C1=NNC(=N)Cc2n1ncn2)c1ccc(cc1)Br)(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 C15H12BrF3N8O MW 457.21 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H12BrF3N8O/c16-9-3-1-8(2-4-9)10-6-14(28,15(17,18)19)27(25-10)13-24-23-11(20)5-12-21-7-22-26(12)13/h1-4,7,28H,5-6H2,(H2,20,23)InChIKey
YLJPFCULEJZYEL-UHFFFAOYSA-NSynonyms
2(8AMINO9H(124)TRIAZOLO(15D)(124)TRIAZEPIN5YL)5(4BROMOPHENYL)3(TRIFLUOROMETHYL)4HPYRAZOL3OL
3(4bromophenyl)1(8imino89dihydro7H(124)triazolo(15d)(124)triazepin5yl)5(trifluoromethyl)45dihydro1Hpyrazol5ol
C1C(=NN=C(N2C1=NC=N2)N3C(CC(=N3)C4=CC=C(C=C4)Br)(C(F)(F)F)O)N
InChI=1SC15H12BrF3N8Oc169318(249)10614(2815(1718)19)27(2510)13242311(20)5122172226(12)13h14728H56H2(H22023)
MFCD06244670
ZINC000008694874
ZINC000018008470
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