Vitas-M small molecule compound

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

Catalog ID
STL355603
SMILES COc1cc2ccccc2cc1C(=O)NC(=S)Nc1cccc(c1)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 C20H16N2O4S MW 380.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16N2O4S/c1-26-17-11-13-6-3-2-5-12(13)10-16(17)18(23)22-20(27)21-15-8-4-7-14(9-15)19(24)25/h2-11H,1H3,(H,24,25)(H2,21,22,23,27)
InChIKey
RZMQFHPIJAKKLT-UHFFFAOYSA-N
Synonyms
433966-33-7
3(((((3METHOXY2NAPHTHALENYL)OXOMETHYL)AMINO)SULFANYLIDENEMETHYL)AMINO)BENZOICACID
3((((3METHOXY2NAPHTHOYL)AMINO)CARBONOTHIOYL)AMINO)BENZOICACID
3((((3methoxynaphthalen2yl)carbonyl)carbamothioyl)amino)benzoicacid
3((((CARBONYL)AMINO)THIOXOMETHYL)AMINO)BENZOICACID
3((3METHOXY2NAPHTHOYL)THIOCARBAMOYLAMINO)BENZOICACID
3((3METHOXYNAPHTHALEN2YL)CARBONYLCARBAMOTHIOYLAMINO)BENZOICACID
3((3METHOXYNAPHTHALENE2CARBONYL)CARBAMOTHIOYLAMINO)BENZOICACID
3(3(3methoxy2naphthoyl)thioureido)benzoicacid
433966337
BENZOICACID3(((((3METHOXY2NAPHTHALENYL)CARBONYL)AMINO)THIOXOMETHYL)AMINO)
COC1=CC2=CC=CC=C2C=C1C(=O)NC(=S)NC3=CC=CC(=C3)C(=O)O
InChI=1SC20H16N2O4Sc126171113632512(13)1016(17)18(23)2220(27)211584714(915)19(24)25h211H1H3(H2425)(H221222327)
MFCD03246739
ZINC000001158412
ZINC1158412

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Available files

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