Vitas-M small molecule compound

3-[(2-chlorophenoxy)methyl]-N-[3-(3,5-dimethylphenoxy)-5-nitrophenyl]-4-methoxybenzamide

Catalog ID
STL176263
SMILES COc1ccc(cc1COc1ccccc1Cl)C(=O)Nc1cc(Oc2cc(C)cc(c2)C)cc(c1)[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 C29H25ClN2O6 MW 532.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H25ClN2O6/c1-18-10-19(2)12-24(11-18)38-25-15-22(14-23(16-25)32(34)35)31-29(33)20-8-9-27(36-3)21(13-20)17-37-28-7-5-4-6-26(28)30/h4-16H,17H2,1-3H3,(H,31,33)
InChIKey
NWXCHFKCMCBDHB-UHFFFAOYSA-N
Synonyms
512826-14-1
3((2chlorophenoxy)methyl)N(3(35dimethylphenoxy)5nitrophenyl)4methoxybenzamide
512826141
CC1=CC(=CC(=C1)OC2=CC(=CC(=C2)(N+)(=O)(O))NC(=O)C3=CC(=C(C=C3)OC)COC4=CC=CC=C4Cl)C
COc1ccc(cc1COc1ccccc1Cl)C(=O)Nc1cc(Oc2cc(C)cc(c2)C)cc(c1)(N+)(=O)(O)
InChI=1SC29H25ClN2O6c1181019(2)1224(1118)38251522(1423(1625)32(34)35)3129(33)208927(363)21(1320)173728754626(28)30h416H17H213H3(H3133)
MFCD03468767
ZINC000002739307
ZINC02739307
ZINC2739307

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Available files

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