Vitas-M small molecule compound
4-({[(2E)-3-(5-bromo-2-methoxyphenyl)prop-2-enoyl]carbamothioyl}amino)benzoic acid
Catalog ID
STK034670
SMILES COc1ccc(cc1/C=C/C(=O)NC(=S)Nc1ccc(cc1)C(=O)O)Br
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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 C18H15BrN2O4S MW 435.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H15BrN2O4S/c1-25-15-8-5-13(19)10-12(15)4-9-16(22)21-18(26)20-14-6-2-11(3-7-14)17(23)24/h2-10H,1H3,(H,23,24)(H2,20,21,22,26)/b9-4+InChIKey
MQHAGTZXLNQTLB-RUDMXATFSA-NSynonyms
535936-56-24((((2E)3(5BROMO2METHOXYPHENYL)PROP2ENOYL)CARBAMOTHIOYL)AMINO)BENZOICACID
4(((E)3(5BROMO2METHOXYPHENYL)PROP2ENOYL)CARBAMOTHIOYLAMINO)BENZOICACID
535936562
COC1=C(C=C(C=C1)Br)C=CC(=O)NC(=S)NC2=CC=C(C=C2)C(=O)O
COc1ccc(cc1C=CC(=O)NC(=S)Nc1ccc(cc1)C(=O)O)Br
InChI=1SC18H15BrN2O4Sc125158513(19)1012(15)4916(22)2118(26)20146211(3714)17(23)24h210H1H3(H2324)(H220212226)b94+
MFCD03571298
STK034670
ZINC000009113868
ZINC9113868
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