Vitas-M small molecule compound

1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(4-nitrophenyl)-N'-{(E)-[4-(trifluoromethyl)phenyl]methylidene}-1H-1,2,3-triazole-4-carbohydrazide

Catalog ID
STL055374
SMILES O=C(c1nnn(c1c1ccc(cc1)[N+](=O)[O-])c1nonc1N)N/N=C/c1ccc(cc1)C(F)(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 C19H12F3N9O4 MW 487.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H12F3N9O4/c20-19(21,22)12-5-1-10(2-6-12)9-24-26-18(32)14-15(11-3-7-13(8-4-11)31(33)34)30(29-25-14)17-16(23)27-35-28-17/h1-9H,(H2,23,27)(H,26,32)/b24-9+
InChIKey
BMSHPGLNSNMMQA-PGGKNCGUSA-N
Synonyms
573936-73-9
(E)1(4amino125oxadiazol3yl)5(4nitrophenyl)N(4(trifluoromethyl)benzylidene)1H123triazole4carbohydrazide
1(4amino125oxadiazol3yl)5(4nitrophenyl)N((E)(4(trifluoromethyl)phenyl)methylidene)1H123triazole4carbohydrazide
1(4AMINO125OXADIAZOL3YL)5(4NITROPHENYL)N((E)(4(TRIFLUOROMETHYL)PHENYL)METHYLIDENEAMINO)TRIAZOLE4CARBOXAMIDE
573936739
C1=CC(=CC=C1C=NNC(=O)C2=C(N(N=N2)C3=NON=C3N)C4=CC=C(C=C4)(N+)(=O)(O))C(F)(F)F
InChI=1SC19H12F3N9O4c2019(2122)125110(2612)9242618(32)1415(113713(8411)31(33)34)30(292514)1716(23)27352817h19H(H22327)(H2632)b249+
MFCD01448811
O=C(c1nnn(c1c1ccc(cc1)(N+)(=O)(O))c1nonc1N)NN=Cc1ccc(cc1)C(F)(F)F
ZINC000001879378
ZINC33345749

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Available files

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