Vitas-M small molecule compound

methyl 4-{[N-(2-methyl-5-nitrophenyl)-N-(methylsulfonyl)glycyl]amino}benzoate

Catalog ID
STL222829
SMILES COC(=O)c1ccc(cc1)NC(=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 C18H19N3O7S MW 421.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H19N3O7S/c1-12-4-9-15(21(24)25)10-16(12)20(29(3,26)27)11-17(22)19-14-7-5-13(6-8-14)18(23)28-2/h4-10H,11H2,1-3H3,(H,19,22)
InChIKey
QUMYRPYPCYOMLX-UHFFFAOYSA-N
Synonyms

CC1=C(C=C(C=C1)(N+)(=O)(O))N(CC(=O)NC2=CC=C(C=C2)C(=O)OC)S(=O)(=O)C
COC(=O)c1ccc(cc1)NC(=O)CN(S(=O)(=O)C)c1cc(ccc1C)(N+)(=O)(O)
InChI=1SC18H19N3O7Sc1124915(21(24)25)1016(12)20(29(326)27)1117(22)19147513(6814)18(23)282h410H11H213H3(H1922)
METHYL4((2(2METHYLNMETHYLSULFONYL5NITROANILINO)ACETYL)AMINO)BENZOATE
methyl4((N(2methyl5nitrophenyl)N(methylsulfonyl)glycyl)amino)benzoate
MFCD05817765
ZINC000002845105
ZINC02845105
ZINC2845105

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Available files

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