Vitas-M small molecule compound
methyl 2-{[N-(2-methoxy-5-nitrophenyl)-N-(methylsulfonyl)glycyl]amino}benzoate
Catalog ID
STL113779
SMILES COc1ccc(cc1N(S(=O)(=O)C)CC(=O)Nc1ccccc1C(=O)OC)[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/c1-28-16-9-8-12(21(24)25)10-15(16)20(30(3,26)27)11-17(22)19-14-7-5-4-6-13(14)18(23)29-2/h4-10H,11H2,1-3H3,(H,19,22)InChIKey
GBVRQSVUADOEQE-UHFFFAOYSA-NSynonyms
COC1=C(C=C(C=C1)(N+)(=O)(O))N(CC(=O)NC2=CC=CC=C2C(=O)OC)S(=O)(=O)C
COc1ccc(cc1N(S(=O)(=O)C)CC(=O)Nc1ccccc1C(=O)OC)(N+)(=O)(O)
InChI=1SC18H19N3O8Sc128169812(21(24)25)1015(16)20(30(326)27)1117(22)1914754613(14)18(23)292h410H11H213H3(H1922)
METHYL2((2(2METHOXYNMETHYLSULFONYL5NITROANILINO)ACETYL)AMINO)BENZOATE
methyl2((N(2methoxy5nitrophenyl)N(methylsulfonyl)glycyl)amino)benzoate
MFCD06623033
ZINC000002869156
ZINC02869156
ZINC2869156
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