Vitas-M small molecule compound

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

Catalog ID
STL317696
SMILES COc1cc(/C=N/NC(=O)c2nnn(c2c2ccc3c(c2)OCO3)c2nonc2N)ccc1OC

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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 C21H18N8O6 MW 478.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18N8O6/c1-31-13-5-3-11(7-15(13)32-2)9-23-25-21(30)17-18(12-4-6-14-16(8-12)34-10-33-14)29(28-24-17)20-19(22)26-35-27-20/h3-9H,10H2,1-2H3,(H2,22,26)(H,25,30)/b23-9+
InChIKey
GIJIHIBNPIMMTN-NUGSKGIGSA-N
Synonyms
849028-82-6
(E)1(4amino125oxadiazol3yl)5(benzo(d)(13)dioxol5yl)N(34dimethoxybenzylidene)1H123triazole4carbohydrazide
1(4amino125oxadiazol3yl)5(13benzodioxol5yl)N((E)(34dimethoxyphenyl)methylidene)1H123triazole4carbohydrazide
1(4AMINO125OXADIAZOL3YL)5(13BENZODIOXOL5YL)N((E)(34DIMETHOXYPHENYL)METHYLIDENEAMINO)TRIAZOLE4CARBOXAMIDE
849028826
COC1=C(C=C(C=C1)C=NNC(=O)C2=C(N(N=N2)C3=NON=C3N)C4=CC5=C(C=C4)OCO5)OC
COc1cc(C=NNC(=O)c2nnn(c2c2ccc3c(c2)OCO3)c2nonc2N)ccc1OC
InChI=1SC21H18N8O6c131135311(715(13)322)9232521(30)1718(12461416(812)34103314)29(282417)2019(22)26352720h39H10H212H3(H22226)(H2530)b239+
MFCD05681680
ZINC000002453891
ZINC33372971

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Available files

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