Vitas-M small molecule compound

methyl 4-{[N-(3-nitrophenyl)-N-(phenylsulfonyl)glycyl]amino}benzoate

Catalog ID
STK947241
SMILES COC(=O)c1ccc(cc1)NC(=O)CN(S(=O)(=O)c1ccccc1)c1cccc(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 C22H19N3O7S MW 469.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19N3O7S/c1-32-22(27)16-10-12-17(13-11-16)23-21(26)15-24(18-6-5-7-19(14-18)25(28)29)33(30,31)20-8-3-2-4-9-20/h2-14H,15H2,1H3,(H,23,26)
InChIKey
BJNJAYDAMHULLJ-UHFFFAOYSA-N
Synonyms

COC(=O)C1=CC=C(C=C1)NC(=O)CN(C2=CC(=CC=C2)(N+)(=O)(O))S(=O)(=O)C3=CC=CC=C3
COC(=O)c1ccc(cc1)NC(=O)CN(S(=O)(=O)c1ccccc1)c1cccc(c1)(N+)(=O)(O)
InChI=1SC22H19N3O7Sc13222(27)16101217(131116)2321(26)1524(1865719(1418)25(28)29)33(3031)208324920h214H15H21H3(H2326)
METHYL4((2(N(BENZENESULFONYL)3NITROANILINO)ACETYL)AMINO)BENZOATE
methyl4((N(3nitrophenyl)N(phenylsulfonyl)glycyl)amino)benzoate
MFCD05990521
ZINC000002855857
ZINC02855857
ZINC2855857

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Available files

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