Vitas-M small molecule compound

4-methoxy-3-({[(4-methylphenyl)carbonyl]carbamothioyl}amino)benzoic acid

Catalog ID
STK109325
SMILES COc1ccc(cc1NC(=S)NC(=O)c1ccc(cc1)C)C(=O)O

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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 C17H16N2O4S MW 344.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H16N2O4S/c1-10-3-5-11(6-4-10)15(20)19-17(24)18-13-9-12(16(21)22)7-8-14(13)23-2/h3-9H,1-2H3,(H,21,22)(H2,18,19,20,24)
InChIKey
TUJYLAYDKKGPEO-UHFFFAOYSA-N
Synonyms

4METHOXY3((((4METHYLPHENYL)CARBONYL)CARBAMOTHIOYL)AMINO)BENZOICACID
4METHOXY3((4METHYLBENZOYL)CARBAMOTHIOYLAMINO)BENZOICACID
CC1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)C(=O)O)OC
InChI=1SC17H16N2O4Sc1103511(6410)15(20)1917(24)1813912(16(21)22)7814(13)232h39H12H3(H2122)(H218192024)
MFCD03255121
ZINC000000311372
ZINC311372

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Available files

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