Vitas-M small molecule compound
N-[4-(azepan-1-ylsulfonyl)phenyl]-4,5-dimethoxy-2-nitrobenzamide
Catalog ID
STK175765
SMILES COc1cc(C(=O)Nc2ccc(cc2)S(=O)(=O)N2CCCCCC2)c(cc1OC)[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 C21H25N3O7S MW 463.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25N3O7S/c1-30-19-13-17(18(24(26)27)14-20(19)31-2)21(25)22-15-7-9-16(10-8-15)32(28,29)23-11-5-3-4-6-12-23/h7-10,13-14H,3-6,11-12H2,1-2H3,(H,22,25)InChIKey
DUERPDASVJXNRH-UHFFFAOYSA-NSynonyms
768290-86-4768290864
COC1=C(C=C(C(=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)(N+)(=O)(O))OC
COc1cc(C(=O)Nc2ccc(cc2)S(=O)(=O)N2CCCCCC2)c(cc1OC)(N+)(=O)(O)
InChI=1SC21H25N3O7Sc130191317(18(24(26)27)1420(19)312)21(25)22157916(10815)32(2829)231153461223h7101314H361112H212H3(H2225)
MFCD05661077
N(4(AZAPERHYDROEPINYLSULFONYL)PHENYL)(45DIMETHOXY2NITROPHENYL)CARBOXAMIDE
N(4(AZEPAN1YLSULFONYL)PHENYL)45DIMETHOXY2NITROBENZAMIDE
ZINC000002848096
ZINC02848096
ZINC2848096
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