Vitas-M small molecule compound
7-(furan-2-yl)-2-[1-(5-methyl-3-nitro-1H-pyrazol-1-yl)ethyl]-9-(trifluoromethyl)pyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidine
Catalog ID
STL393950
SMILES Cc1cc(nn1C(c1nc2n(n1)cnc1c2sc2c1c(cc(n2)C(F)(F)F)c1ccco1)C)[N+](=O)[O-]
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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 C21H13F3N8O3S MW 514.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H13F3N8O3S/c1-9-6-14(32(33)34)28-31(9)10(2)18-27-19-17-16(25-8-30(19)29-18)15-11(12-4-3-5-35-12)7-13(21(22,23)24)26-20(15)36-17/h3-8,10H,1-2H3InChIKey
KYOKUGUZAUCTOR-UHFFFAOYSA-NSynonyms
1006994-84-81006994848
7(furan2yl)2(1(5methyl3nitro1Hpyrazol1yl)ethyl)9(trifluoromethyl)pyrido(3245)thieno(23e)(124)triazolo(15c)pyrimidine
CC1=CC(=NN1C(C)C2=NN3C=NC4=C(C3=N2)SC5=C4C(=CC(=N5)C(F)(F)F)C6=CC=CO6)(N+)(=O)(O)
Cc1cc(nn1C(c1nc2n(n1)cnc1c2sc2c1c(cc(n2)C(F)(F)F)c1ccco1)C)(N+)(=O)(O)
InChI=1SC21H13F3N8O3Sc19614(32(33)34)2831(9)10(2)1827191716(25830(19)2918)1511(124353512)713(21(2223)24)2620(15)3617h3810H12H3
MFCD08557692
ZINC000098046263
ZINC000098046264
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