Vitas-M small molecule compound

N-[3-(3,5-dimethylphenoxy)-5-nitrophenyl]-3-[(4-nitro-1H-pyrazol-1-yl)methyl]benzamide

Catalog ID
STK302395
SMILES Cc1cc(Oc2cc(NC(=O)c3cccc(c3)Cn3ncc(c3)[N+](=O)[O-])cc(c2)[N+](=O)[O-])cc(c1)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 C25H21N5O6 MW 487.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21N5O6/c1-16-6-17(2)8-23(7-16)36-24-11-20(10-21(12-24)29(32)33)27-25(31)19-5-3-4-18(9-19)14-28-15-22(13-26-28)30(34)35/h3-13,15H,14H2,1-2H3,(H,27,31)
InChIKey
BWBZAVKWWXILOZ-UHFFFAOYSA-N
Synonyms
512824-01-0
512824010
CC1=CC(=CC(=C1)OC2=CC(=CC(=C2)(N+)(=O)(O))NC(=O)C3=CC(=CC=C3)CN4C=C(C=N4)(N+)(=O)(O))C
Cc1cc(Oc2cc(NC(=O)c3cccc(c3)Cn3ncc(c3)(N+)(=O)(O))cc(c2)(N+)(=O)(O))cc(c1)C
InChI=1SC25H21N5O6c116617(2)823(716)36241120(1021(1224)29(32)33)2725(31)1953418(919)14281522(132628)30(34)35h31315H14H212H3(H2731)
MFCD03468470
N(3(35dimethylphenoxy)5nitrophenyl)3((4nitro1Hpyrazol1yl)methyl)benzamide
N(3(35DIMETHYLPHENOXY)5NITROPHENYL)3((4NITROPYRAZOL1YL)METHYL)BENZAMIDE
ZINC000002735458
ZINC02735458
ZINC2735458

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Available files

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