Vitas-M small molecule compound

methyl 3-nitro-5-({4-[(2-phenylethyl)sulfamoyl]phenyl}carbamoyl)benzoate

Catalog ID
STK117740
SMILES COC(=O)c1cc(cc(c1)[N+](=O)[O-])C(=O)Nc1ccc(cc1)S(=O)(=O)NCCc1ccccc1

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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 C23H21N3O7S MW 483.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21N3O7S/c1-33-23(28)18-13-17(14-20(15-18)26(29)30)22(27)25-19-7-9-21(10-8-19)34(31,32)24-12-11-16-5-3-2-4-6-16/h2-10,13-15,24H,11-12H2,1H3,(H,25,27)
InChIKey
VNYVFJYLCSGVGU-UHFFFAOYSA-N
Synonyms
600132-35-2
600132352
COC(=O)C1=CC(=CC(=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NCCC3=CC=CC=C3)(N+)(=O)(O)
COC(=O)c1cc(cc(c1)(N+)(=O)(O))C(=O)Nc1ccc(cc1)S(=O)(=O)NCCc1ccccc1
InChI=1SC23H21N3O7Sc13323(28)181317(1420(1518)26(29)30)22(27)25197921(10819)34(3132)241211165324616h210131524H1112H21H3(H2527)
METHYL3NITRO5((4((2PHENYLETHYL)SULFAMOYL)PHENYL)CARBAMOYL)BENZOATE
methyl3nitro5((4(2phenylethylsulfamoyl)phenyl)carbamoyl)benzoate
METHYL3NITRO5((4(PHENETHYLSULFAMOYL)PHENYL)CARBAMOYL)BENZOATE
METHYL3NITRO5(N(4(((2PHENYLETHYL)AMINO)SULFONYL)PHENYL)CARBAMOYL)BENZOATE
MFCD03639899
ZINC000002827872
ZINC02827872
ZINC2827872

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Available files

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