Vitas-M small molecule compound
4-{5-[(1Z)-3-amino-2-cyano-3-thioxoprop-1-en-1-yl]furan-2-yl}-2-chlorobenzoic acid
Catalog ID
STL376659
SMILES N#C/C(=C/c1ccc(o1)c1ccc(c(c1)Cl)C(=O)O)/C(=S)N
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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 C15H9ClN2O3S MW 332.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H9ClN2O3S/c16-12-6-8(1-3-11(12)15(19)20)13-4-2-10(21-13)5-9(7-17)14(18)22/h1-6H,(H2,18,22)(H,19,20)/b9-5-InChIKey
FNMVESQIGLRHIZ-UITAMQMPSA-NSynonyms
4(5((1Z)3amino2cyano3thioxoprop1en1yl)furan2yl)2chlorobenzoicacid
4(5((Z)3amino2cyano3sulfanylideneprop1enyl)furan2yl)2chlorobenzoicacid
C1=CC(=C(C=C1C2=CC=C(O2)C=C(C#N)C(=S)N)Cl)C(=O)O
InChI=1SC15H9ClN2O3Sc161268(1311(12)15(19)20)134210(2113)59(717)14(18)22h16H(H21822)(H1920)b95
MFCD07138562
N#CC(=Cc1ccc(o1)c1ccc(c(c1)Cl)C(=O)O)C(=S)N
ZINC000016385914
ZINC16385914
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