Vitas-M small molecule compound
2-(4-chlorophenoxy)-1-[4-(4-methoxy-2-nitrophenyl)piperazin-1-yl]ethanone
Catalog ID
STK163170
SMILES COc1ccc(c(c1)[N+](=O)[O-])N1CCN(CC1)C(=O)COc1ccc(cc1)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 C19H20ClN3O5 MW 405.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H20ClN3O5/c1-27-16-6-7-17(18(12-16)23(25)26)21-8-10-22(11-9-21)19(24)13-28-15-4-2-14(20)3-5-15/h2-7,12H,8-11,13H2,1H3InChIKey
XCQUKPXGWXRIMA-UHFFFAOYSA-NSynonyms
2(4CHLOROPHENOXY)1(4(4METHOXY2NITROPHENYL)PIPERAZIN1YL)ETHANONE
COC1=CC(=C(C=C1)N2CCN(CC2)C(=O)COC3=CC=C(C=C3)Cl)(N+)(=O)(O)
COc1ccc(c(c1)(N+)(=O)(O))N1CCN(CC1)C(=O)COc1ccc(cc1)Cl
InChI=1SC19H20ClN3O5c127166717(18(1216)23(25)26)2181022(11921)19(24)1328154214(20)3515h2712H81113H21H3
MFCD05829309
ZINC000005049939
ZINC05049939
ZINC5049939
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