Vitas-M small molecule compound

3-({[(3-methoxynaphthalen-2-yl)carbonyl]carbamothioyl}amino)-4-methylbenzoic acid

Catalog ID
STK108172
SMILES COc1cc2ccccc2cc1C(=O)NC(=S)Nc1cc(ccc1C)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 C21H18N2O4S MW 394.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18N2O4S/c1-12-7-8-15(20(25)26)10-17(12)22-21(28)23-19(24)16-9-13-5-3-4-6-14(13)11-18(16)27-2/h3-11H,1-2H3,(H,25,26)(H2,22,23,24,28)
InChIKey
CEXXBODPZONRKG-UHFFFAOYSA-N
Synonyms
433697-67-7
3(((((3METHOXY2NAPHTHALENYL)OXOMETHYL)AMINO)SULFANYLIDENEMETHYL)AMINO)4METHYLBENZOICACID
3((((3METHOXY2NAPHTHOYL)AMINO)CARBONOTHIOYL)AMINO)4METHYLBENZOICACID
3((((3METHOXYNAPHTHALEN2YL)CARBONYL)CARBAMOTHIOYL)AMINO)4METHYLBENZOICACID
3((3METHOXY2NAPHTHOYL)THIOCARBAMOYLAMINO)4METHYLBENZOICACID
3((3METHOXYNAPHTHALEN2YL)CARBONYLCARBAMOTHIOYLAMINO)4METHYLBENZOICACID
3((3METHOXYNAPHTHALENE2CARBONYL)CARBAMOTHIOYLAMINO)4METHYLBENZOICACID
3(3(3methoxy2naphthoyl)thioureido)4methylbenzoicacid
433697677
BENZOICACID3(((((3METHOXY2NAPHTHALENYL)CARBONYL)AMINO)THIOXOMETHYL)AMINO)4METHYL
CC1=C(C=C(C=C1)C(=O)O)NC(=S)NC(=O)C2=CC3=CC=CC=C3C=C2OC
InChI=1SC21H18N2O4Sc1127815(20(25)26)1017(12)2221(28)2319(24)16913534614(13)1118(16)272h311H12H3(H2526)(H222232428)
MFCD03244605
ZINC000002239368
ZINC2239368

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Available files

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