Vitas-M small molecule compound

N-{3-[(2-chloro-4-nitrophenyl)amino]propyl}-4-(dimethylamino)-2-methoxy-5-nitrobenzamide

Catalog ID
STK049288
SMILES COc1cc(N(C)C)c(cc1C(=O)NCCCNc1ccc(cc1Cl)[N+](=O)[O-])[N+](=O)[O-]

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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 C19H22ClN5O6 MW 451.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H22ClN5O6/c1-23(2)16-11-18(31-3)13(10-17(16)25(29)30)19(26)22-8-4-7-21-15-6-5-12(24(27)28)9-14(15)20/h5-6,9-11,21H,4,7-8H2,1-3H3,(H,22,26)
InChIKey
CLEZZFPADHPYSY-UHFFFAOYSA-N
Synonyms

CN(C)C1=C(C=C(C(=C1)OC)C(=O)NCCCNC2=C(C=C(C=C2)(N+)(=O)(O))Cl)(N+)(=O)(O)
COc1cc(N(C)C)c(cc1C(=O)NCCCNc1ccc(cc1Cl)(N+)(=O)(O))(N+)(=O)(O)
InChI=1SC19H22ClN5O6c123(2)161118(313)13(1017(16)25(29)30)19(26)2284721156512(24(27)28)914(15)20h5691121H478H213H3(H2226)
MFCD00289294
N(3((2CHLORO4NITROPHENYL)AMINO)PROPYL)4(DIMETHYLAMINO)2METHOXY5NITROBENZAMIDE
N(3(2CHLORO4NITROANILINO)PROPYL)4(DIMETHYLAMINO)2METHOXY5NITROBENZAMIDE
STK049288
ZINC000009434553
ZINC09434553
ZINC9434553

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Available files

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