Vitas-M small molecule compound
1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(3,4-dimethoxyphenyl)methylidene]-5-(4-nitrophenyl)-1H-1,2,3-triazole-4-carbohydrazide
Catalog ID
STK755620
SMILES COc1ccc(cc1OC)/C=N/NC(=O)c1nnn(c1c1ccc(cc1)[N+](=O)[O-])c1nonc1N
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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 C20H17N9O6 MW 479.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17N9O6/c1-33-14-8-3-11(9-15(14)34-2)10-22-24-20(30)16-17(12-4-6-13(7-5-12)29(31)32)28(27-23-16)19-18(21)25-35-26-19/h3-10H,1-2H3,(H2,21,25)(H,24,30)/b22-10+InChIKey
XKIMDDLRVDDWSX-LSHDLFTRSA-NSynonyms
1(4amino125oxadiazol3yl)N((E)(34dimethoxyphenyl)methylidene)5(4nitrophenyl)1H123triazole4carbohydrazide
1(4amino125oxadiazol3yl)N((E)(34dimethoxyphenyl)methylideneamino)5(4nitrophenyl)triazole4carboxamide
COC1=C(C=C(C=C1)C=NNC(=O)C2=C(N(N=N2)C3=NON=C3N)C4=CC=C(C=C4)(N+)(=O)(O))OC
COc1ccc(cc1OC)C=NNC(=O)c1nnn(c1c1ccc(cc1)(N+)(=O)(O))c1nonc1N
InChI=1SC20H17N9O6c133148311(915(14)342)10222420(30)1617(124613(7512)29(31)32)28(272316)1918(21)25352619h310H12H3(H22125)(H2430)b2210+
MFCD01113380
ZINC000003663315
ZINC33371589
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