Vitas-M small molecule compound
3-({[(2E)-3-(5-bromo-2-methoxyphenyl)prop-2-enoyl]carbamothioyl}amino)-4-chlorobenzoic acid
Catalog ID
STK105650
SMILES COc1ccc(cc1/C=C/C(=O)NC(=S)Nc1cc(ccc1Cl)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 C18H14BrClN2O4S MW 469.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H14BrClN2O4S/c1-26-15-6-4-12(19)8-10(15)3-7-16(23)22-18(27)21-14-9-11(17(24)25)2-5-13(14)20/h2-9H,1H3,(H,24,25)(H2,21,22,23,27)/b7-3+InChIKey
XDUZLIDKBIITTB-XVNBXDOJSA-NSynonyms
532978-58-83((((2E)3(5BROMO2METHOXYPHENYL)PROP2ENOYL)CARBAMOTHIOYL)AMINO)4CHLOROBENZOICACID
3(((E)3(5BROMO2METHOXYPHENYL)PROP2ENOYL)CARBAMOTHIOYLAMINO)4CHLOROBENZOICACID
532978588
COC1=C(C=C(C=C1)Br)C=CC(=O)NC(=S)NC2=C(C=CC(=C2)C(=O)O)Cl
COc1ccc(cc1C=CC(=O)NC(=S)Nc1cc(ccc1Cl)C(=O)O)Br
InChI=1SC18H14BrClN2O4Sc126156412(19)810(15)3716(23)2218(27)2114911(17(24)25)2513(14)20h29H1H3(H2425)(H221222327)b73+
MFCD03570537
ZINC000009762897
ZINC9762897
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