Vitas-M small molecule compound

ethyl 2-{[N-(2-methyl-5-nitrophenyl)-N-(methylsulfonyl)glycyl]amino}benzoate

Catalog ID
STL222838
SMILES CCOC(=O)c1ccccc1NC(=O)CN(S(=O)(=O)C)c1cc(ccc1C)[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 C19H21N3O7S MW 435.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H21N3O7S/c1-4-29-19(24)15-7-5-6-8-16(15)20-18(23)12-21(30(3,27)28)17-11-14(22(25)26)10-9-13(17)2/h5-11H,4,12H2,1-3H3,(H,20,23)
InChIKey
FAFARPNQPPLFIU-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=CC=CC=C1NC(=O)CN(C2=C(C=CC(=C2)(N+)(=O)(O))C)S(=O)(=O)C
CCOC(=O)c1ccccc1NC(=O)CN(S(=O)(=O)C)c1cc(ccc1C)(N+)(=O)(O)
ETHYL2((2(2METHYLNMETHYLSULFONYL5NITROANILINO)ACETYL)AMINO)BENZOATE
ethyl2((N(2methyl5nitrophenyl)N(methylsulfonyl)glycyl)amino)benzoate
InChI=1SC19H21N3O7Sc142919(24)15756816(15)2018(23)1221(30(327)28)171114(22(25)26)10913(17)2h511H412H213H3(H2023)
MFCD05817774
ZINC000002844500
ZINC02844500
ZINC2844500

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Available files

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