Vitas-M small molecule compound
methyl 2-chloro-5-{[N-(methylsulfonyl)-N-(3-nitrophenyl)glycyl]amino}benzoate
Catalog ID
STL032307
SMILES COC(=O)c1cc(ccc1Cl)NC(=O)CN(S(=O)(=O)C)c1cccc(c1)[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 C17H16ClN3O7S MW 441.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H16ClN3O7S/c1-28-17(23)14-8-11(6-7-15(14)18)19-16(22)10-20(29(2,26)27)12-4-3-5-13(9-12)21(24)25/h3-9H,10H2,1-2H3,(H,19,22)InChIKey
FYFJMLPJQALAEZ-UHFFFAOYSA-NSynonyms
COC(=O)C1=C(C=CC(=C1)NC(=O)CN(C2=CC(=CC=C2)(N+)(=O)(O))S(=O)(=O)C)Cl
COC(=O)c1cc(ccc1Cl)NC(=O)CN(S(=O)(=O)C)c1cccc(c1)(N+)(=O)(O)
InChI=1SC17H16ClN3O7Sc12817(23)14811(6715(14)18)1916(22)1020(29(226)27)1243513(912)21(24)25h39H10H212H3(H1922)
METHYL2CHLORO5((2(NMETHYLSULFONYL3NITROANILINO)ACETYL)AMINO)BENZOATE
methyl2chloro5((N(methylsulfonyl)N(3nitrophenyl)glycyl)amino)benzoate
MFCD04371612
ZINC000002856692
ZINC02856692
ZINC2856692
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