Vitas-M small molecule compound
1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-1,3-benzodioxol-5-ylmethylidene]-5-(4-nitrophenyl)-1H-1,2,3-triazole-4-carbohydrazide
Catalog ID
STL049308
SMILES O=C(c1nnn(c1c1ccc(cc1)[N+](=O)[O-])c1nonc1N)N/N=C/c1ccc2c(c1)OCO2
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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 C19H13N9O6 MW 463.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H13N9O6/c20-17-18(25-34-24-17)27-16(11-2-4-12(5-3-11)28(30)31)15(22-26-27)19(29)23-21-8-10-1-6-13-14(7-10)33-9-32-13/h1-8H,9H2,(H2,20,24)(H,23,29)/b21-8+InChIKey
VBKQKJKMIJKVIQ-ODCIPOBUSA-NSynonyms
585549-90-2(E)1(4amino125oxadiazol3yl)N(benzo(d)(13)dioxol5ylmethylene)5(4nitrophenyl)1H123triazole4carbohydrazide
1(4amino125oxadiazol3yl)N((E)13benzodioxol5ylmethylidene)5(4nitrophenyl)1H123triazole4carbohydrazide
1(4AMINO125OXADIAZOL3YL)N((E)13BENZODIOXOL5YLMETHYLIDENEAMINO)5(4NITROPHENYL)TRIAZOLE4CARBOXAMIDE
585549902
C1OC2=C(O1)C=C(C=C2)C=NNC(=O)C3=C(N(N=N3)C4=NON=C4N)C5=CC=C(C=C5)(N+)(=O)(O)
InChI=1SC19H13N9O6c201718(25342417)2716(112412(5311)28(30)31)15(222627)19(29)2321810161314(710)3393213h18H9H2(H22024)(H2329)b218+
MFCD01210138
O=C(c1nnn(c1c1ccc(cc1)(N+)(=O)(O))c1nonc1N)NN=Cc1ccc2c(c1)OCO2
ZINC000001901041
ZINC33345895
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