Vitas-M small molecule compound
(3,4-dimethoxyphenyl){3-(furan-2-yl)-5-[(3-nitrobenzyl)amino]-1H-1,2,4-triazol-1-yl}methanone
Catalog ID
STK246598
SMILES COc1ccc(cc1OC)C(=O)n1nc(nc1NCc1cccc(c1)[N+](=O)[O-])c1ccco1
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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 C22H19N5O6 MW 449.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19N5O6/c1-31-17-9-8-15(12-19(17)32-2)21(28)26-22(24-20(25-26)18-7-4-10-33-18)23-13-14-5-3-6-16(11-14)27(29)30/h3-12H,13H2,1-2H3,(H,23,24,25)InChIKey
ISWOXSFFOMLGEW-UHFFFAOYSA-NSynonyms
(34dimethoxyphenyl)(3(furan2yl)5((3nitrobenzyl)amino)1H124triazol1yl)methanone
(34dimethoxyphenyl)(3(furan2yl)5((3nitrophenyl)methylamino)124triazol1yl)methanone
COC1=C(C=C(C=C1)C(=O)N2C(=NC(=N2)C3=CC=CO3)NCC4=CC(=CC=C4)(N+)(=O)(O))OC
COc1ccc(cc1OC)C(=O)n1nc(nc1NCc1cccc(c1)(N+)(=O)(O))c1ccco1
InChI=1SC22H19N5O6c131179815(1219(17)322)21(28)2622(2420(2526)1874103318)23131453616(1114)27(29)30h312H13H212H3(H232425)
MFCD08685212
ZINC000009667701
ZINC09667701
ZINC9667701
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