Vitas-M small molecule compound

1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(1,3-benzodioxol-5-yl)-N'-[(1E)-1-(4-nitrophenyl)ethylidene]-1H-1,2,3-triazole-4-carbohydrazide

Catalog ID
STK567789
SMILES O=C(c1nnn(c1c1ccc2c(c1)OCO2)c1nonc1N)N/N=C(/c1ccc(cc1)[N+](=O)[O-])\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 C20H15N9O6 MW 477.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H15N9O6/c1-10(11-2-5-13(6-3-11)29(31)32)22-24-20(30)16-17(12-4-7-14-15(8-12)34-9-33-14)28(27-23-16)19-18(21)25-35-26-19/h2-8H,9H2,1H3,(H2,21,25)(H,24,30)/b22-10+
InChIKey
YUDVREBWLOBEAT-LSHDLFTRSA-N
Synonyms
713093-13-1
(E)1(4amino125oxadiazol3yl)5(benzo(d)(13)dioxol5yl)N(1(4nitrophenyl)ethylidene)1H123triazole4carbohydrazide
1(4amino125oxadiazol3yl)5(13benzodioxol5yl)N((1E)1(4nitrophenyl)ethylidene)1H123triazole4carbohydrazide
1(4amino125oxadiazol3yl)5(13benzodioxol5yl)N((E)1(4nitrophenyl)ethylideneamino)triazole4carboxamide
713093131
CC(=NNC(=O)C1=C(N(N=N1)C2=NON=C2N)C3=CC4=C(C=C3)OCO4)C5=CC=C(C=C5)(N+)(=O)(O)
InChI=1SC20H15N9O6c110(112513(6311)29(31)32)222420(30)1617(12471415(812)3493314)28(272316)1918(21)25352619h28H9H21H3(H22125)(H2430)b2210+
MFCD05681644
O=C(c1nnn(c1c1ccc2c(c1)OCO2)c1nonc1N)NN=C(c1ccc(cc1)(N+)(=O)(O))C
ZINC000013788407
ZINC34859525

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Available files

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