Vitas-M small molecule compound
{3,5-bis[(3-methoxybenzyl)amino]-1H-1,2,4-triazol-1-yl}(4-chloro-3-nitrophenyl)methanone
Catalog ID
STK169742
SMILES COc1cccc(c1)CNc1nc(n(n1)C(=O)c1ccc(c(c1)[N+](=O)[O-])Cl)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 C25H23ClN6O5 MW 522.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H23ClN6O5/c1-36-19-7-3-5-16(11-19)14-27-24-29-25(28-15-17-6-4-8-20(12-17)37-2)31(30-24)23(33)18-9-10-21(26)22(13-18)32(34)35/h3-13H,14-15H2,1-2H3,(H2,27,28,29,30)InChIKey
YDQSZYHLFAXEEY-UHFFFAOYSA-NSynonyms
(35BIS((3METHOXYBENZYL)AMINO)1H124TRIAZOL1YL)(4CHLORO3NITROPHENYL)METHANONE
(35bis((3methoxyphenyl)methylamino)124triazol1yl)(4chloro3nitrophenyl)methanone
COC1=CC=CC(=C1)CNC2=NN(C(=N2)NCC3=CC(=CC=C3)OC)C(=O)C4=CC(=C(C=C4)Cl)(N+)(=O)(O)
COc1cccc(c1)CNc1nc(n(n1)C(=O)c1ccc(c(c1)(N+)(=O)(O))Cl)NCc1cccc(c1)OC
InChI=1SC25H23ClN6O5c1361973516(1119)1427242925(28151764820(1217)372)31(3024)23(33)1891021(26)22(1318)32(34)35h313H1415H212H3(H227282930)
MFCD06663289
ZINC000009847050
ZINC09847050
ZINC9847050
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