Vitas-M small molecule compound
butyl 4-{[(1-benzofuran-2-ylcarbonyl)carbamothioyl]amino}benzoate
Catalog ID
STK092534
SMILES CCCCOC(=O)c1ccc(cc1)NC(=S)NC(=O)c1cc2c(o1)cccc2
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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 C21H20N2O4S MW 396.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N2O4S/c1-2-3-12-26-20(25)14-8-10-16(11-9-14)22-21(28)23-19(24)18-13-15-6-4-5-7-17(15)27-18/h4-11,13H,2-3,12H2,1H3,(H2,22,23,24,28)InChIKey
SAOLGSHCAMOQOU-UHFFFAOYSA-NSynonyms
BUTYL4(((1BENZOFURAN2YLCARBONYL)CARBAMOTHIOYL)AMINO)BENZOATE
BUTYL4(1BENZOFURAN2CARBONYLCARBAMOTHIOYLAMINO)BENZOATE
CCCCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=CC3=CC=CC=C3O2
CCCCOC(=O)c1ccc(cc1)NC(=S)NC(=O)c1cc2c(o1)cccc2
InChI=1SC21H20N2O4Sc123122620(25)1481016(11914)2221(28)2319(24)181315645717(15)2718h41113H2312H21H3(H222232428)
MFCD03136816
STK092534
ZINC000002994895
ZINC02994895
ZINC2994895
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