Vitas-M small molecule compound
{3,5-bis[(4-methoxybenzyl)amino]-1H-1,2,4-triazol-1-yl}(4-chloro-3-nitrophenyl)methanone
Catalog ID
STK178840
SMILES COc1ccc(cc1)CNc1nn(c(n1)NCc1ccc(cc1)OC)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/c1-36-19-8-3-16(4-9-19)14-27-24-29-25(28-15-17-5-10-20(37-2)11-6-17)31(30-24)23(33)18-7-12-21(26)22(13-18)32(34)35/h3-13H,14-15H2,1-2H3,(H2,27,28,29,30)InChIKey
UJYZLJBAUXQVEZ-UHFFFAOYSA-NSynonyms
(35BIS((4METHOXYBENZYL)AMINO)1H124TRIAZOL1YL)(4CHLORO3NITROPHENYL)METHANONE
(35bis((4methoxyphenyl)methylamino)124triazol1yl)(4chloro3nitrophenyl)methanone
COC1=CC=C(C=C1)CNC2=NN(C(=N2)NCC3=CC=C(C=C3)OC)C(=O)C4=CC(=C(C=C4)Cl)(N+)(=O)(O)
COc1ccc(cc1)CNc1nn(c(n1)NCc1ccc(cc1)OC)C(=O)c1ccc(c(c1)(N+)(=O)(O))Cl
InChI=1SC25H23ClN6O5c136198316(4919)1427242925(28151751020(372)11617)31(3024)23(33)1871221(26)22(1318)32(34)35h313H1415H212H3(H227282930)
MFCD06663916
ZINC000009948481
ZINC09948481
ZINC9948481
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