Vitas-M small molecule compound

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

Catalog ID
STL113635
SMILES COC(=O)c1ccc(cc1)NC(=O)CN(S(=O)(=O)C)c1cc(ccc1OC)[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 C18H19N3O8S MW 437.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H19N3O8S/c1-28-16-9-8-14(21(24)25)10-15(16)20(30(3,26)27)11-17(22)19-13-6-4-12(5-7-13)18(23)29-2/h4-10H,11H2,1-3H3,(H,19,22)
InChIKey
OKZMPOMSTFLCQS-UHFFFAOYSA-N
Synonyms

COC(=O)c1ccc(cc1)NC(=O)CN(S(=O)(=O)C)c1cc(ccc1OC)(N+)(=O)(O)
COC1=C(C=C(C=C1)(N+)(=O)(O))N(CC(=O)NC2=CC=C(C=C2)C(=O)OC)S(=O)(=O)C
InChI=1SC18H19N3O8Sc128169814(21(24)25)1015(16)20(30(326)27)1117(22)19136412(5713)18(23)292h410H11H213H3(H1922)
METHYL4((2(2METHOXYNMETHYLSULFONYL5NITROANILINO)ACETYL)AMINO)BENZOATE
methyl4((N(2methoxy5nitrophenyl)N(methylsulfonyl)glycyl)amino)benzoate
MFCD05836013
ZINC000014153920
ZINC14153920

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Available files

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