Vitas-M small molecule compound
{3,5-bis[(2-methoxybenzyl)amino]-1H-1,2,4-triazol-1-yl}(4-chloro-3-nitrophenyl)methanone
Catalog ID
STK169768
SMILES COc1ccccc1CNc1nn(c(n1)NCc1ccccc1OC)C(=O)c1ccc(c(c1)[N+](=O)[O-])Cl
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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 C25H23ClN6O5 MW 522.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H23ClN6O5/c1-36-21-9-5-3-7-17(21)14-27-24-29-25(28-15-18-8-4-6-10-22(18)37-2)31(30-24)23(33)16-11-12-19(26)20(13-16)32(34)35/h3-13H,14-15H2,1-2H3,(H2,27,28,29,30)InChIKey
ZBGFXHBFOJLSTJ-UHFFFAOYSA-NSynonyms
(35BIS((2METHOXYBENZYL)AMINO)1H124TRIAZOL1YL)(4CHLORO3NITROPHENYL)METHANONE
(35bis((2methoxyphenyl)methylamino)124triazol1yl)(4chloro3nitrophenyl)methanone
COC1=CC=CC=C1CNC2=NN(C(=N2)NCC3=CC=CC=C3OC)C(=O)C4=CC(=C(C=C4)Cl)(N+)(=O)(O)
COc1ccccc1CNc1nn(c(n1)NCc1ccccc1OC)C(=O)c1ccc(c(c1)(N+)(=O)(O))Cl
InChI=1SC25H23ClN6O5c13621953717(21)1427242925(2815188461022(18)372)31(3024)23(33)16111219(26)20(1316)32(34)35h313H1415H212H3(H227282930)
MFCD06663310
ZINC000009847066
ZINC09847066
ZINC9847066
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