Vitas-M small molecule compound

dimethyl 5-[(naphthalen-1-ylcarbamothioyl)amino]benzene-1,3-dicarboxylate

Catalog ID
STK456752
SMILES COC(=O)c1cc(NC(=S)Nc2cccc3c2cccc3)cc(c1)C(=O)OC

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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 C21H18N2O4S MW 394.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18N2O4S/c1-26-19(24)14-10-15(20(25)27-2)12-16(11-14)22-21(28)23-18-9-5-7-13-6-3-4-8-17(13)18/h3-12H,1-2H3,(H2,22,23,28)
InChIKey
SNVJACACZLHDIS-UHFFFAOYSA-N
Synonyms

COC(=O)C1=CC(=CC(=C1)NC(=S)NC2=CC=CC3=CC=CC=C32)C(=O)OC
dimethyl5((naphthalen1ylcarbamothioyl)amino)benzene13dicarboxylate
DIMETHYL5(NAPHTHALEN1YLCARBAMOTHIOYLAMINO)BENZENE13DICARBOXYLATE
InChI=1SC21H18N2O4Sc12619(24)141015(20(25)272)1216(1114)2221(28)231895713634817(13)18h312H12H3(H2222328)
METHYL3(METHOXYCARBONYL)5(((NAPHTHYLAMINO)THIOXOMETHYL)AMINO)BENZOATE
MFCD05988952
ZINC000002851225
ZINC02851225
ZINC2851225

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Available files

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