Vitas-M small molecule compound

butyl 4-({[(3,4-dimethylphenyl)carbonyl]carbamothioyl}amino)benzoate

Catalog ID
STK148392
SMILES CCCCOC(=O)c1ccc(cc1)NC(=S)NC(=O)c1ccc(c(c1)C)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 C21H24N2O3S MW 384.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H24N2O3S/c1-4-5-12-26-20(25)16-8-10-18(11-9-16)22-21(27)23-19(24)17-7-6-14(2)15(3)13-17/h6-11,13H,4-5,12H2,1-3H3,(H2,22,23,24,27)
InChIKey
YJDDGFHCXPQRGS-UHFFFAOYSA-N
Synonyms

BUTYL4((((34DIMETHYLPHENYL)CARBONYL)CARBAMOTHIOYL)AMINO)BENZOATE
BUTYL4((34DIMETHYLBENZOYL)CARBAMOTHIOYLAMINO)BENZOATE
CCCCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=CC(=C(C=C2)C)C
InChI=1SC21H24N2O3Sc145122620(25)1681018(11916)2221(27)2319(24)177614(2)15(3)1317h61113H4512H213H3(H222232427)
MFCD02809954
ZINC000002982793
ZINC02982793
ZINC2982793

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Available files

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