Vitas-M small molecule compound

methyl 4-methyl-3-[(naphthalen-1-ylcarbamothioyl)amino]benzoate

Catalog ID
STK459456
SMILES COC(=O)c1ccc(c(c1)NC(=S)Nc1cccc2c1cccc2)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 C20H18N2O2S MW 350.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18N2O2S/c1-13-10-11-15(19(23)24-2)12-18(13)22-20(25)21-17-9-5-7-14-6-3-4-8-16(14)17/h3-12H,1-2H3,(H2,21,22,25)
InChIKey
XGAPBNBLSJXNPV-UHFFFAOYSA-N
Synonyms

CC1=C(C=C(C=C1)C(=O)OC)NC(=S)NC2=CC=CC3=CC=CC=C32
InChI=1SC20H18N2O2Sc113101115(19(23)242)1218(13)2220(25)211795714634816(14)17h312H12H3(H2212225)
METHYL4METHYL3(((NAPHTHYLAMINO)THIOXOMETHYL)AMINO)BENZOATE
methyl4methyl3((naphthalen1ylcarbamothioyl)amino)benzoate
METHYL4METHYL3(NAPHTHALEN1YLCARBAMOTHIOYLAMINO)BENZOATE
MFCD05991700
ZINC000002858641
ZINC02858641
ZINC2858641

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Available files

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