Vitas-M small molecule compound
methyl 4-(4-methylpiperazin-1-yl)-3-nitrobenzoate
Catalog ID
STK171904
SMILES COC(=O)c1ccc(c(c1)[N+](=O)[O-])N1CCN(CC1)C
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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 C13H17N3O4 MW 279.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H17N3O4/c1-14-5-7-15(8-6-14)11-4-3-10(13(17)20-2)9-12(11)16(18)19/h3-4,9H,5-8H2,1-2H3InChIKey
VRPYNGMXXLTUOL-UHFFFAOYSA-NSynonyms
65715-48-24(4METHYLPIPERAZIN1YL)3NITROBENZOICACIDMETHYLESTER
65715482
BENZOICACID4(4METHYL1PIPERAZINYL)3NITROMETHYLESTER
CN1CCN(CC1)C2=C(C=C(C=C2)C(=O)OC)(N+)(=O)(O)
COC(=O)c1ccc(c(c1)(N+)(=O)(O))N1CCN(CC1)C
InChI=1SC13H17N3O4c1145715(8614)114310(13(17)202)912(11)16(18)19h349H58H212H3
METHYL4(4METHYL1PIPERAZINYL)3NITROBENZOATE
METHYL4(4METHYLPIPERAZIN1YL)3NITROBENZOATE
METHYL4(4METHYLPIPERAZINO)3NITROBENZENECARBOXYLATE
MFCD02083000
ZINC000004050815
ZINC4050815
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