Vitas-M small molecule compound
5-[3-(4-methoxyphenyl)-5-(trifluoromethyl)-1H-pyrazol-1-yl]-7H-[1,2,4]triazolo[1,5-d][1,2,4]triazepin-8(9H)-imine
Catalog ID
STL438380
SMILES COc1ccc(cc1)c1nn(c(c1)C(F)(F)F)C1=NNC(=N)Cc2n1ncn2
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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 C16H13F3N8O MW 390.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H13F3N8O/c1-28-10-4-2-9(3-5-10)11-6-12(16(17,18)19)26(25-11)15-24-23-13(20)7-14-21-8-22-27(14)15/h2-6,8H,7H2,1H3,(H2,20,23)InChIKey
SRHIDDINAFJRBR-UHFFFAOYSA-NSynonyms
5(3(4methoxyphenyl)5(trifluoromethyl)1Hpyrazol1yl)7H(124)triazolo(15d)(124)triazepin8(9H)imine
5(3(4METHOXYPHENYL)5(TRIFLUOROMETHYL)PYRAZOL1YL)9H(124)TRIAZOLO(15D)(124)TRIAZEPIN8AMINE
5(3(4METHOXYPHENYL)5(TRIFLUOROMETHYL)PYRAZOLYL)7H9H124TRIAZOLO(15D)124TRIAZEPIN8IMINE
COC1=CC=C(C=C1)C2=NN(C(=C2)C(F)(F)F)C3=NN=C(CC4=NC=NN43)N
InChI=1SC16H13F3N8Oc12810429(3510)11612(16(1718)19)26(2511)15242313(20)7142182227(14)15h268H7H21H3(H22023)
MFCD03761423
ZINC000004440920
ZINC4440920
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