Vitas-M small molecule compound
{3,5-bis[(3-methoxybenzyl)amino]-1H-1,2,4-triazol-1-yl}(4-nitrophenyl)methanone
Catalog ID
STK169743
SMILES COc1cccc(c1)CNc1nc(n(n1)C(=O)c1ccc(cc1)[N+](=O)[O-])NCc1cccc(c1)OC
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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 C25H24N6O5 MW 488.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H24N6O5/c1-35-21-7-3-5-17(13-21)15-26-24-28-25(27-16-18-6-4-8-22(14-18)36-2)30(29-24)23(32)19-9-11-20(12-10-19)31(33)34/h3-14H,15-16H2,1-2H3,(H2,26,27,28,29)InChIKey
WRQKYDZBUHXANX-UHFFFAOYSA-NSynonyms
(35BIS((3METHOXYBENZYL)AMINO)1H124TRIAZOL1YL)(4NITROPHENYL)METHANONE
(35bis((3methoxyphenyl)methylamino)124triazol1yl)(4nitrophenyl)methanone
COC1=CC=CC(=C1)CNC2=NN(C(=N2)NCC3=CC(=CC=C3)OC)C(=O)C4=CC=C(C=C4)(N+)(=O)(O)
COc1cccc(c1)CNc1nc(n(n1)C(=O)c1ccc(cc1)(N+)(=O)(O))NCc1cccc(c1)OC
InChI=1SC25H24N6O5c1352173517(1321)1526242825(27161864822(1418)362)30(2924)23(32)1991120(121019)31(33)34h314H1516H212H3(H226272829)
MFCD06663290
ZINC000009847051
ZINC09847051
ZINC9847051
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