Vitas-M small molecule compound
butyl 4-{5-[(1E)-3-amino-2-cyano-3-thioxoprop-1-en-1-yl]furan-2-yl}benzoate
Catalog ID
STL376570
SMILES CCCCOC(=O)c1ccc(cc1)c1ccc(o1)/C=C(/C(=S)N)\C#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 C19H18N2O3S MW 354.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H18N2O3S/c1-2-3-10-23-19(22)14-6-4-13(5-7-14)17-9-8-16(24-17)11-15(12-20)18(21)25/h4-9,11H,2-3,10H2,1H3,(H2,21,25)/b15-11+InChIKey
VJZDLSLDVPZGJK-RVDMUPIBSA-NSynonyms
butyl4(5((1E)3amino2cyano3thioxoprop1en1yl)furan2yl)benzoate
BUTYL4(5((E)3AMINO2CYANO3SULFANYLIDENEPROP1ENYL)FURAN2YL)BENZOATE
CCCCOC(=O)C1=CC=C(C=C1)C2=CC=C(O2)C=C(C#N)C(=S)N
CCCCOC(=O)c1ccc(cc1)c1ccc(o1)C=C(C(=S)N)C#N
InChI=1SC19H18N2O3Sc123102319(22)146413(5714)179816(2417)1115(1220)18(21)25h4911H2310H21H3(H22125)b1511+
MFCD07037507
ZINC000015009324
ZINC15009324
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