Vitas-M small molecule compound
1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(1,3-benzodioxol-5-yl)-N'-[(E)-(2-nitrophenyl)methylidene]-1H-1,2,3-triazole-4-carbohydrazide
Catalog ID
STL053889
SMILES O=C(c1nnn(c1c1ccc2c(c1)OCO2)c1nonc1N)N/N=C/c1ccccc1[N+](=O)[O-]
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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(10-5-6-13-14(7-10)33-9-32-13)15(22-26-27)19(29)23-21-8-11-3-1-2-4-12(11)28(30)31/h1-8H,9H2,(H2,20,24)(H,23,29)/b21-8+InChIKey
LNZHWIRXMQPZEK-ODCIPOBUSA-NSynonyms
713091-71-5(E)1(4amino125oxadiazol3yl)5(benzo(d)(13)dioxol5yl)N(2nitrobenzylidene)1H123triazole4carbohydrazide
1(4amino125oxadiazol3yl)5(13benzodioxol5yl)N((E)(2nitrophenyl)methylidene)1H123triazole4carbohydrazide
1(4AMINO125OXADIAZOL3YL)5(13BENZODIOXOL5YL)N((E)(2NITROPHENYL)METHYLIDENEAMINO)TRIAZOLE4CARBOXAMIDE
713091715
C1OC2=C(O1)C=C(C=C2)C3=C(N=NN3C4=NON=C4N)C(=O)NN=CC5=CC=CC=C5(N+)(=O)(O)
InChI=1SC19H13N9O6c201718(25342417)2716(10561314(710)3393213)15(222627)19(29)2321811312412(11)28(30)31h18H9H2(H22024)(H2329)b218+
MFCD05679930
O=C(c1nnn(c1c1ccc2c(c1)OCO2)c1nonc1N)NN=Cc1ccccc1(N+)(=O)(O)
ZINC000001872679
ZINC33345677
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