Vitas-M small molecule compound
1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(4-nitrophenyl)-N'-[(E)-(2,3,4-trimethoxyphenyl)methylidene]-1H-1,2,3-triazole-4-carbohydrazide
Catalog ID
STL055574
SMILES COc1ccc(c(c1OC)OC)/C=N/NC(=O)c1nnn(c1c1ccc(cc1)[N+](=O)[O-])c1nonc1N
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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 C21H19N9O7 MW 509.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19N9O7/c1-34-14-9-6-12(17(35-2)18(14)36-3)10-23-25-21(31)15-16(11-4-7-13(8-5-11)30(32)33)29(28-24-15)20-19(22)26-37-27-20/h4-10H,1-3H3,(H2,22,26)(H,25,31)/b23-10+InChIKey
PBUIOPRMRNCXCN-AUEPDCJTSA-NSynonyms
577761-13-8(E)1(4amino125oxadiazol3yl)5(4nitrophenyl)N(234trimethoxybenzylidene)1H123triazole4carbohydrazide
1(4amino125oxadiazol3yl)5(4nitrophenyl)N((E)(234trimethoxyphenyl)methylidene)1H123triazole4carbohydrazide
1(4amino125oxadiazol3yl)5(4nitrophenyl)N((E)(234trimethoxyphenyl)methylideneamino)triazole4carboxamide
577761138
COC1=C(C(=C(C=C1)C=NNC(=O)C2=C(N(N=N2)C3=NON=C3N)C4=CC=C(C=C4)(N+)(=O)(O))OC)OC
COc1ccc(c(c1OC)OC)C=NNC(=O)c1nnn(c1c1ccc(cc1)(N+)(=O)(O))c1nonc1N
InChI=1SC21H19N9O7c134149612(17(352)18(14)363)10232521(31)1516(114713(8511)30(32)33)29(282415)2019(22)26372720h410H13H3(H22226)(H2531)b2310+
MFCD03171315
ZINC000013513914
ZINC35128866
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