Vitas-M small molecule compound
1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(1,3-benzodioxol-5-yl)-N'-{(E)-[4-(dimethylamino)phenyl]methylidene}-1H-1,2,3-triazole-4-carbohydrazide
Catalog ID
STL004083
SMILES O=C(c1nnn(c1c1ccc2c(c1)OCO2)c1nonc1N)N/N=C/c1ccc(cc1)N(C)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 C21H19N9O4 MW 461.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19N9O4/c1-29(2)14-6-3-12(4-7-14)10-23-25-21(31)17-18(13-5-8-15-16(9-13)33-11-32-15)30(28-24-17)20-19(22)26-34-27-20/h3-10H,11H2,1-2H3,(H2,22,26)(H,25,31)/b23-10+InChIKey
DKURBQZZICRQBT-AUEPDCJTSA-NSynonyms
849826-81-9(E)1(4amino125oxadiazol3yl)5(benzo(d)(13)dioxol5yl)N(4(dimethylamino)benzylidene)1H123triazole4carbohydrazide
1(4amino125oxadiazol3yl)5(13benzodioxol5yl)N((E)(4(dimethylamino)phenyl)methylidene)1H123triazole4carbohydrazide
1(4amino125oxadiazol3yl)5(13benzodioxol5yl)N((E)(4(dimethylamino)phenyl)methylideneamino)triazole4carboxamide
849826819
CN(C)C1=CC=C(C=C1)C=NNC(=O)C2=C(N(N=N2)C3=NON=C3N)C4=CC5=C(C=C4)OCO5
InChI=1SC21H19N9O4c129(2)146312(4714)10232521(31)1718(13581516(913)33113215)30(282417)2019(22)26342720h310H11H212H3(H22226)(H2531)b2310+
MFCD05688196
O=C(c1nnn(c1c1ccc2c(c1)OCO2)c1nonc1N)NN=Cc1ccc(cc1)N(C)C
ZINC000009309555
ZINC97494933
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