Vitas-M small molecule compound
2-[({4-ethyl-5-[1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-7-phenyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine
Catalog ID
STL393257
SMILES CCn1c(SCc2nn3c(n2)c2cnn(c2nc3)c2ccccc2)nnc1c1nn(c(c1)C(F)(F)F)C
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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 C22H18F3N11S MW 525.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18F3N11S/c1-3-34-20(15-9-16(22(23,24)25)33(2)31-15)29-30-21(34)37-11-17-28-19-14-10-27-36(13-7-5-4-6-8-13)18(14)26-12-35(19)32-17/h4-10,12H,3,11H2,1-2H3InChIKey
PQIFKTOZEPXQID-UHFFFAOYSA-NSynonyms
1005581-59-81005581598
2(((4ETHYL5(1METHYL5(TRIFLUOROMETHYL)1HPYRAZOL3YL)4H124TRIAZOL3YL)SULFANYL)METHYL)7PHENYL7HPYRAZOLO(43E)(124)TRIAZOLO(15C)PYRIMIDINE
CCN1C(=NN=C1SCC2=NN3C=NC4=C(C3=N2)C=NN4C5=CC=CC=C5)C6=NN(C(=C6)C(F)(F)F)C
InChI=1SC22H18F3N11Sc133420(15916(22(2324)25)33(2)3115)293021(34)371117281914102736(137546813)18(14)261235(19)3217h41012H311H212H3
MFCD04051983
ZINC000002800519
ZINC2800519
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