Vitas-M small molecule compound

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

Catalog ID
STL051415
SMILES CN(c1ccc(cc1)/C=N/NC(=O)c1nnn(c1c1ccc(cc1)[N+](=O)[O-])c1nonc1N)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 C20H18N10O4 MW 462.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18N10O4/c1-28(2)14-7-3-12(4-8-14)11-22-24-20(31)16-17(13-5-9-15(10-6-13)30(32)33)29(27-23-16)19-18(21)25-34-26-19/h3-11H,1-2H3,(H2,21,25)(H,24,31)/b22-11+
InChIKey
YXAXUMNEQHRNJA-SSDVNMTOSA-N
Synonyms
714248-19-8
(E)1(4amino125oxadiazol3yl)N(4(dimethylamino)benzylidene)5(4nitrophenyl)1H123triazole4carbohydrazide
1(4amino125oxadiazol3yl)N((E)(4(dimethylamino)phenyl)methylidene)5(4nitrophenyl)1H123triazole4carbohydrazide
1(4amino125oxadiazol3yl)N((E)(4(dimethylamino)phenyl)methylideneamino)5(4nitrophenyl)triazole4carboxamide
1(4AMINO125OXADIAZOL3YL)N((E)(4DIMETHYLAMINOPHENYL)METHYLIDENEAMINO)5(4NITROPHENYL)TRIAZOLE4CARBOXAMIDE
714248198
CN(C)C1=CC=C(C=C1)C=NNC(=O)C2=C(N(N=N2)C3=NON=C3N)C4=CC=C(C=C4)(N+)(=O)(O)
CN(c1ccc(cc1)C=NNC(=O)c1nnn(c1c1ccc(cc1)(N+)(=O)(O))c1nonc1N)C
InChI=1SC20H18N10O4c128(2)147312(4814)11222420(31)1617(135915(10613)30(32)33)29(272316)1918(21)25342619h311H12H3(H22125)(H2431)b2211+
MFCD01210111
ZINC000002265858
ZINC33351892

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Available files

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