Vitas-M small molecule compound

methyl 2-({[(5-bromonaphthalen-1-yl)carbonyl]carbamothioyl}amino)benzoate

Catalog ID
STK390420
SMILES COC(=O)c1ccccc1NC(=S)NC(=O)c1cccc2c1cccc2Br

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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 C20H15BrN2O3S MW 443.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H15BrN2O3S/c1-26-19(25)15-6-2-3-11-17(15)22-20(27)23-18(24)14-9-4-8-13-12(14)7-5-10-16(13)21/h2-11H,1H3,(H2,22,23,24,27)
InChIKey
OHMRUINJKOZRNF-UHFFFAOYSA-N
Synonyms

COC(=O)C1=CC=CC=C1NC(=S)NC(=O)C2=CC=CC3=C2C=CC=C3Br
InChI=1SC20H15BrN2O3Sc12619(25)156231117(15)2220(27)2318(24)149481312(14)751016(13)21h211H1H3(H222232427)
METHYL2((((5BROMONAPHTHALEN1YL)CARBONYL)CARBAMOTHIOYL)AMINO)BENZOATE
METHYL2((((5BROMONAPHTHYL)CARBONYLAMINO)THIOXOMETHYL)AMINO)BENZOATE
METHYL2((5BROMONAPHTHALENE1CARBONYL)CARBAMOTHIOYLAMINO)BENZOATE
MFCD02915271
ZINC000001180800
ZINC01180800
ZINC1180800

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Available files

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