Vitas-M small molecule compound

methyl 2-({[(4-methylphenyl)carbonyl]carbamothioyl}amino)benzoate

Catalog ID
STK069000
SMILES COC(=O)c1ccccc1NC(=S)NC(=O)c1ccc(cc1)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 C17H16N2O3S MW 328.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H16N2O3S/c1-11-7-9-12(10-8-11)15(20)19-17(23)18-14-6-4-3-5-13(14)16(21)22-2/h3-10H,1-2H3,(H2,18,19,20,23)
InChIKey
KOBCAIVFDHVLSD-UHFFFAOYSA-N
Synonyms
178675-06-4
178675064
2(3(4METHYLBENZOYL)THIOUREIDO)BENZOICACIDMETHYLESTER
CC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)OC
COC(=O)c1ccccc1NC(=S)NC(=O)c1ccc(cc1)C
InChI=1SC17H16N2O3Sc1117912(10811)15(20)1917(23)1814643513(14)16(21)222h310H12H3(H218192023)
METHYL2((((4METHYLBENZOYL)AMINO)CARBONOTHIOYL)AMINO)BENZOATE
METHYL2((((4METHYLBENZOYL)AMINO)CARBOTHIOYL)AMINO)BENZOATE
METHYL2((((4METHYLPHENYL)CARBONYL)CARBAMOTHIOYL)AMINO)BENZOATE
METHYL2((4METHYLBENZOYL)CARBAMOTHIOYLAMINO)BENZOATE
methyl2(3(4methylbenzoyl)thioureido)benzoate
MFCD02625314
STK069000
ZINC000000452742
ZINC00452742
ZINC452742

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Available files

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