Vitas-M small molecule compound
N-{(E)-[4-(difluoromethoxy)phenyl]methylidene}-3-{[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]sulfanyl}-5-methyl-4H-1,2,4-triazol-4-amine
Catalog ID
STL390447
SMILES FC(Oc1ccc(cc1)/C=N/n1c(C)nnc1SCn1nc(c(c1C)[N+](=O)[O-])C)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 C17H17F2N7O3S MW 437.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H17F2N7O3S/c1-10-15(26(27)28)11(2)24(23-10)9-30-17-22-21-12(3)25(17)20-8-13-4-6-14(7-5-13)29-16(18)19/h4-8,16H,9H2,1-3H3/b20-8+InChIKey
JGCSVWHDZIJSOI-DNTJNYDQSA-NSynonyms
1005615-29-1(E)1(4(difluoromethoxy)phenyl)N(3((35dimethyl4nitropyrazol1yl)methylsulfanyl)5methyl124triazol4yl)methanimine
1005615291
CC1=C(C(=NN1CSC2=NN=C(N2N=CC3=CC=C(C=C3)OC(F)F)C)C)(N+)(=O)(O)
FC(Oc1ccc(cc1)C=Nn1c(C)nnc1SCn1nc(c(c1C)(N+)(=O)(O))C)F
InChI=1SC17H17F2N7O3Sc11015(26(27)28)11(2)24(2310)93017222112(3)25(17)208134614(7513)2916(18)19h4816H9H213H3b208+
MFCD05667520
N((E)(4(difluoromethoxy)phenyl)methylidene)3(((35dimethyl4nitro1Hpyrazol1yl)methyl)sulfanyl)5methyl4H124triazol4amine
ZINC000002733145
ZINC101587505
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