Vitas-M small molecule compound

ethyl 4-[(butanoylcarbamothioyl)amino]benzoate

Catalog ID
STK085031
SMILES CCCC(=O)NC(=S)Nc1ccc(cc1)C(=O)OCC

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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 C14H18N2O3S MW 294.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H18N2O3S/c1-3-5-12(17)16-14(20)15-11-8-6-10(7-9-11)13(18)19-4-2/h6-9H,3-5H2,1-2H3,(H2,15,16,17,20)
InChIKey
DVWZYNRWCWSBIZ-UHFFFAOYSA-N
Synonyms

CCCC(=O)NC(=S)NC1=CC=C(C=C1)C(=O)OCC
CCCC(=O)NC(=S)Nc1ccc(cc1)C(=O)OCC
ETHYL4(((BUTYRYLAMINO)CARBOTHIOYL)AMINO)BENZOATE
ETHYL4((BUTANOYLCARBAMOTHIOYL)AMINO)BENZOATE
ETHYL4(BUTANOYLCARBAMOTHIOYLAMINO)BENZOATE
InChI=1SC14H18N2O3Sc13512(17)1614(20)15118610(7911)13(18)1942h69H35H212H3(H215161720)
MFCD03031871
STK085031
ZINC000000456375
ZINC00456375
ZINC456375

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Available files

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