Vitas-M small molecule compound

4-({[1-(1,3-benzodioxol-5-yl)ethyl]carbamothioyl}amino)benzenesulfonamide

Catalog ID
STK457016
SMILES S=C(NC(c1ccc2c(c1)OCO2)C)Nc1ccc(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 C16H17N3O4S2 MW 379.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H17N3O4S2/c1-10(11-2-7-14-15(8-11)23-9-22-14)18-16(24)19-12-3-5-13(6-4-12)25(17,20)21/h2-8,10H,9H2,1H3,(H2,17,20,21)(H2,18,19,24)
InChIKey
KKCQOKAFZPVXAL-UHFFFAOYSA-N
Synonyms

1(1(13BENZODIOXOL5YL)ETHYL)3(4SULFAMOYLPHENYL)THIOUREA
4((((1(13BENZODIOXOL5YL)ETHYL)AMINO)CARBONOTHIOYL)AMINO)BENZENESULFONAMIDE
4((((1S)1(13BENZODIOXOL5YL)ETHYL)CARBAMOTHIOYL)AMINO)BENZENESULFONAMIDE
4((((2HBENZO(34D)13DIOXOLEN5YLETHYL)AMINO)THIOXOMETHYL)AMINO)BENZENESULFONAMIDE
4(((1(13benzodioxol5yl)ethyl)carbamothioyl)amino)benzenesulfonamide
CC(C1=CC2=C(C=C1)OCO2)NC(=S)NC3=CC=C(C=C3)S(=O)(=O)N
InChI=1SC16H17N3O4S2c110(11271415(811)2392214)1816(24)19123513(6412)25(1720)21h2810H9H21H3(H2172021)(H2181924)
MFCD05990113
ZINC000008683732
ZINC000008683733
ZINC02854573
ZINC02854574

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Available files

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