Vitas-M small molecule compound
{3,5-bis[(3-methoxybenzyl)amino]-1H-1,2,4-triazol-1-yl}(3-nitrophenyl)methanone
Catalog ID
STK178853
SMILES COc1cccc(c1)CNc1nc(n(n1)C(=O)c1cccc(c1)[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/c1-35-21-10-3-6-17(12-21)15-26-24-28-25(27-16-18-7-4-11-22(13-18)36-2)30(29-24)23(32)19-8-5-9-20(14-19)31(33)34/h3-14H,15-16H2,1-2H3,(H2,26,27,28,29)InChIKey
MDFQSTLQZNURFH-UHFFFAOYSA-NSynonyms
(35BIS((3METHOXYBENZYL)AMINO)1H124TRIAZOL1YL)(3NITROPHENYL)METHANONE
(35BIS((3METHOXYPHENYL)METHYLAMINO)124TRIAZOL1YL)(3NITROPHENYL)METHANONE
COC1=CC=CC(=C1)CNC2=NN(C(=N2)NCC3=CC(=CC=C3)OC)C(=O)C4=CC(=CC=C4)(N+)(=O)(O)
COc1cccc(c1)CNc1nc(n(n1)C(=O)c1cccc(c1)(N+)(=O)(O))NCc1cccc(c1)OC
InChI=1SC25H24N6O5c13521103617(1221)1526242825(271618741122(1318)362)30(2924)23(32)1985920(1419)31(33)34h314H1516H212H3(H226272829)
MFCD06632643
ZINC000002890511
ZINC02890511
ZINC2890511
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