Vitas-M small molecule compound

methyl 4-methyl-3-{[(4-sulfamoylphenyl)carbamothioyl]amino}benzoate

Catalog ID
STK473489
SMILES COC(=O)c1ccc(c(c1)NC(=S)Nc1ccc(cc1)S(=O)(=O)N)C

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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 C16H17N3O4S2 MW 379.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H17N3O4S2/c1-10-3-4-11(15(20)23-2)9-14(10)19-16(24)18-12-5-7-13(8-6-12)25(17,21)22/h3-9H,1-2H3,(H2,17,21,22)(H2,18,19,24)
InChIKey
WIJCWYPLQQVULI-UHFFFAOYSA-N
Synonyms

CC1=C(C=C(C=C1)C(=O)OC)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N
InChI=1SC16H17N3O4S2c1103411(15(20)232)914(10)1916(24)18125713(8612)25(1721)22h39H12H3(H2172122)(H2181924)
METHYL4METHYL3((((4SULFAMOYLPHENYL)AMINO)THIOXOMETHYL)AMINO)BENZOATE
methyl4methyl3(((4sulfamoylphenyl)carbamothioyl)amino)benzoate
methyl4methyl3((4sulfamoylphenyl)carbamothioylamino)benzoate
MFCD06043088
ZINC000017077579
ZINC17077579

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Available files

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