Vitas-M small molecule compound

ethyl N-(2-methoxy-5-nitrophenyl)-N-(methylsulfonyl)glycinate

Catalog ID
STL118873
SMILES CCOC(=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 C12H16N2O7S MW 332.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H16N2O7S/c1-4-21-12(15)8-13(22(3,18)19)10-7-9(14(16)17)5-6-11(10)20-2/h5-7H,4,8H2,1-3H3
InChIKey
XDOJLKBPCHTXJX-UHFFFAOYSA-N
Synonyms

CCOC(=O)CN(C1=C(C=CC(=C1)(N+)(=O)(O))OC)S(=O)(=O)C
CCOC(=O)CN(S(=O)(=O)C)c1cc(ccc1OC)(N+)(=O)(O)
ETHYL2(2METHOXYNMETHYLSULFONYL5NITROANILINO)ACETATE
ethylN(2methoxy5nitrophenyl)N(methylsulfonyl)glycinate
InChI=1SC12H16N2O7Sc142112(15)813(22(318)19)1079(14(16)17)5611(10)202h57H48H213H3
MFCD05812274
ZINC000002866398
ZINC02866398
ZINC2866398

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.