Vitas-M small molecule compound
{3,5-bis[(4-ethoxybenzyl)amino]-1H-1,2,4-triazol-1-yl}(4-nitrophenyl)methanone
Catalog ID
STK178983
SMILES CCOc1ccc(cc1)CNc1nc(n(n1)C(=O)c1ccc(cc1)[N+](=O)[O-])NCc1ccc(cc1)OCC
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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 C27H28N6O5 MW 516.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28N6O5/c1-3-37-23-13-5-19(6-14-23)17-28-26-30-27(29-18-20-7-15-24(16-8-20)38-4-2)32(31-26)25(34)21-9-11-22(12-10-21)33(35)36/h5-16H,3-4,17-18H2,1-2H3,(H2,28,29,30,31)InChIKey
WMHCNNLHSZVJQJ-UHFFFAOYSA-NSynonyms
(35BIS((4ETHOXYBENZYL)AMINO)1H124TRIAZOL1YL)(4NITROPHENYL)METHANONE
(35bis((4ethoxyphenyl)methylamino)124triazol1yl)(4nitrophenyl)methanone
CCOC1=CC=C(C=C1)CNC2=NN(C(=N2)NCC3=CC=C(C=C3)OCC)C(=O)C4=CC=C(C=C4)(N+)(=O)(O)
CCOc1ccc(cc1)CNc1nc(n(n1)C(=O)c1ccc(cc1)(N+)(=O)(O))NCc1ccc(cc1)OCC
InChI=1SC27H28N6O5c13372313519(61423)1728263027(29182071524(16820)3842)32(3126)25(34)2191122(121021)33(35)36h516H341718H212H3(H228293031)
MFCD06664046
ZINC000009948646
ZINC09948646
ZINC9948646
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