Vitas-M small molecule compound
N-[(E)-{5-[(4-bromo-3-nitro-1H-pyrazol-1-yl)methyl]furan-2-yl}methylidene]-3-(difluoromethyl)-5-(methylsulfanyl)-4H-1,2,4-triazol-4-amine
Catalog ID
STK306188
SMILES CSc1nnc(n1/N=C/c1ccc(o1)Cn1nc(c(c1)Br)[N+](=O)[O-])C(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 C13H10BrF2N7O3S MW 462.23 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H10BrF2N7O3S/c1-27-13-19-18-12(10(15)16)22(13)17-4-7-2-3-8(26-7)5-21-6-9(14)11(20-21)23(24)25/h2-4,6,10H,5H2,1H3/b17-4+InChIKey
CMJHXLBRTAYHGM-HAVNEIBRSA-NSynonyms
1005637-56-8(E)1(5((4bromo3nitropyrazol1yl)methyl)furan2yl)N(3(difluoromethyl)5methylsulfanyl124triazol4yl)methanimine
1005637568
CSC1=NN=C(N1N=CC2=CC=C(O2)CN3C=C(C(=N3)(N+)(=O)(O))Br)C(F)F
CSc1nnc(n1N=Cc1ccc(o1)Cn1nc(c(c1)Br)(N+)(=O)(O))C(F)F
InChI=1SC13H10BrF2N7O3Sc12713191812(10(15)16)22(13)1747238(267)52169(14)11(2021)23(24)25h24610H5H21H3b174+
MFCD04053588
N((E)(5((4bromo3nitro1Hpyrazol1yl)methyl)furan2yl)methylidene)3(difluoromethyl)5(methylsulfanyl)4H124triazol4amine
ZINC000002788967
ZINC4510792
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