Vitas-M small molecule compound
methyl 3-nitro-5-{[2-(4-sulfamoylphenyl)ethyl]carbamoyl}benzoate
Catalog ID
STK051405
SMILES COC(=O)c1cc(cc(c1)[N+](=O)[O-])C(=O)NCCc1ccc(cc1)S(=O)(=O)N
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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 C17H17N3O7S MW 407.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H17N3O7S/c1-27-17(22)13-8-12(9-14(10-13)20(23)24)16(21)19-7-6-11-2-4-15(5-3-11)28(18,25)26/h2-5,8-10H,6-7H2,1H3,(H,19,21)(H2,18,25,26)InChIKey
YOJOHKAENFBBFH-UHFFFAOYSA-NSynonyms
349439-85-6349439856
COC(=O)C1=CC(=CC(=C1)C(=O)NCCC2=CC=C(C=C2)S(=O)(=O)N)(N+)(=O)(O)
COC(=O)c1cc(cc(c1)(N+)(=O)(O))C(=O)NCCc1ccc(cc1)S(=O)(=O)N
InChI=1SC17H17N3O7Sc12717(22)13812(914(1013)20(23)24)16(21)1976112415(5311)28(1825)26h25810H67H21H3(H1921)(H2182526)
METHYL3NITRO5((2(4SULFAMOYLPHENYL)ETHYL)CARBAMOYL)BENZOATE
METHYL3NITRO5(2(4SULFAMOYLPHENYL)ETHYLCARBAMOYL)BENZOATE
METHYL3NITRO5(N(2(4SULFAMOYLPHENYL)ETHYL)CARBAMOYL)BENZOATE
MFCD02603884
STK051405
ZINC000008721919
ZINC08721919
ZINC8721919
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