Vitas-M small molecule compound

2-({[(3-bromo-4-methoxyphenyl)carbonyl]carbamothioyl}amino)benzoic acid

Catalog ID
STK017319
SMILES COc1ccc(cc1Br)C(=O)NC(=S)Nc1ccccc1C(=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 C16H13BrN2O4S MW 409.26 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H13BrN2O4S/c1-23-13-7-6-9(8-11(13)17)14(20)19-16(24)18-12-5-3-2-4-10(12)15(21)22/h2-8H,1H3,(H,21,22)(H2,18,19,20,24)
InChIKey
MJYPQTWJWSZILH-UHFFFAOYSA-N
Synonyms
433970-69-5
2((((3BROMO4METHOXYPHENYL)CARBONYL)CARBAMOTHIOYL)AMINO)BENZOICACID
2((3BROMO4METHOXYBENZOYL)CARBAMOTHIOYLAMINO)BENZOICACID
2(3(3bromo4methoxybenzoyl)thioureido)benzoicacid
BENZOICACID2((((3BROMO4METHOXYBENZOYL)AMINO)THIOXOMETHYL)AMINO)
COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)O)Br
COc1ccc(cc1Br)C(=O)NC(=S)Nc1ccccc1C(=O)O
Registry IDs
MFCD03241410
ZINC000001158533
ZINC1158533

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Available files

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