Vitas-M small molecule compound
butyl 4-{5-[(E)-(3-ethyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl}benzoate
Catalog ID
STL428560
SMILES CCCCOC(=O)c1ccc(cc1)c1ccc(o1)/C=C\1/SC(=S)N(C1=O)CC
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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 C21H21NO4S2 MW 415.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21NO4S2/c1-3-5-12-25-20(24)15-8-6-14(7-9-15)17-11-10-16(26-17)13-18-19(23)22(4-2)21(27)28-18/h6-11,13H,3-5,12H2,1-2H3/b18-13+InChIKey
SUQVFSOBMQNUIM-QGOAFFKASA-NSynonyms
BUTYL4(5((E)(3ETHYL4OXO2SULFANYLIDENE13THIAZOLIDIN5YLIDENE)METHYL)FURAN2YL)BENZOATE
butyl4(5((E)(3ethyl4oxo2thioxo13thiazolidin5ylidene)methyl)furan2yl)benzoate
CCCCOC(=O)C1=CC=C(C=C1)C2=CC=C(O2)C=C3C(=O)N(C(=S)S3)CC
CCCCOC(=O)c1ccc(cc1)c1ccc(o1)C=C1SC(=S)N(C1=O)CC
InChI=1SC21H21NO4S2c135122520(24)158614(7915)17111016(2617)131819(23)22(42)21(27)2818h61113H3512H212H3b1813+
MFCD04084100
ZINC000006264350
ZINC06264350
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