Vitas-M small molecule compound

3-({[(2-chloro-5-iodophenyl)carbonyl]carbamothioyl}amino)-4-methoxybenzoic acid

Catalog ID
STK103293
SMILES COc1ccc(cc1NC(=S)NC(=O)c1cc(I)ccc1Cl)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 C16H12ClIN2O4S MW 490.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H12ClIN2O4S/c1-24-13-5-2-8(15(22)23)6-12(13)19-16(25)20-14(21)10-7-9(18)3-4-11(10)17/h2-7H,1H3,(H,22,23)(H2,19,20,21,25)
InChIKey
XQTFXPGCOVBIBW-UHFFFAOYSA-N
Synonyms

3((((2CHLORO5IODOPHENYL)CARBONYL)CARBAMOTHIOYL)AMINO)4METHOXYBENZOICACID
3((2CHLORO5IODOBENZOYL)CARBAMOTHIOYLAMINO)4METHOXYBENZOICACID
COC1=C(C=C(C=C1)C(=O)O)NC(=S)NC(=O)C2=C(C=CC(=C2)I)Cl
InChI=1SC16H12ClIN2O4Sc12413528(15(22)23)612(13)1916(25)2014(21)1079(18)3411(10)17h27H1H3(H2223)(H219202125)
MFCD03567473
ZINC000001159652
ZINC1159652

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Available files

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