Vitas-M small molecule compound
3-({[(3-butoxyphenyl)carbonyl]carbamothioyl}amino)benzoic acid
Catalog ID
STK104174
SMILES CCCCOc1cccc(c1)C(=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 C19H20N2O4S MW 372.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H20N2O4S/c1-2-3-10-25-16-9-5-6-13(12-16)17(22)21-19(26)20-15-8-4-7-14(11-15)18(23)24/h4-9,11-12H,2-3,10H2,1H3,(H,23,24)(H2,20,21,22,26)InChIKey
JWLPAHWBIXRCDT-UHFFFAOYSA-NSynonyms
3((((3BUTOXYPHENYL)CARBONYL)CARBAMOTHIOYL)AMINO)BENZOICACID
3((3BUTOXYBENZOYL)CARBAMOTHIOYLAMINO)BENZOICACID
CCCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)O
InChI=1SC19H20N2O4Sc12310251695613(1216)17(22)2119(26)201584714(1115)18(23)24h491112H2310H21H3(H2324)(H220212226)
MFCD03243734
ZINC000003000037
ZINC3000037
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