Vitas-M small molecule compound
butyl 4-({[(3-methyl-1-benzofuran-2-yl)carbonyl]carbamothioyl}amino)benzoate
Catalog ID
STK013892
SMILES CCCCOC(=O)c1ccc(cc1)NC(=S)NC(=O)c1oc2c(c1C)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 C22H22N2O4S MW 410.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N2O4S/c1-3-4-13-27-21(26)15-9-11-16(12-10-15)23-22(29)24-20(25)19-14(2)17-7-5-6-8-18(17)28-19/h5-12H,3-4,13H2,1-2H3,(H2,23,24,25,29)InChIKey
OPYYZGPHMNNEMO-UHFFFAOYSA-NSynonyms
4(3(3METHYLBENZOFURAN2CARBONYL)THIOUREIDO)BENZOICACIDBUTYLESTER
BUTYL4((((3METHYL1BENZOFURAN2YL)CARBONYL)CARBAMOTHIOYL)AMINO)BENZOATE
BUTYL4((3METHYL1BENZOFURAN2CARBONYL)CARBAMOTHIOYLAMINO)BENZOATE
CCCCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=C(C3=CC=CC=C3O2)C
CCCCOC(=O)c1ccc(cc1)NC(=S)NC(=O)c1oc2c(c1C)cccc2
InChI=1SC22H22N2O4Sc134132721(26)1591116(121015)2322(29)2420(25)1914(2)17756818(17)2819h512H3413H212H3(H223242529)
MFCD03030973
STK013892
ZINC000002995010
ZINC02995010
ZINC2995010
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