Vitas-M small molecule compound
4-chloro-3-{5-[(E)-{3-[4-(diethylamino)phenyl]-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene}methyl]furan-2-yl}benzoic acid
Catalog ID
STL417050
SMILES CCN(c1ccc(cc1)N1C(=S)S/C(=C/c2ccc(o2)c2cc(ccc2Cl)C(=O)O)/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 C25H21ClN2O4S2 MW 513.04 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21ClN2O4S2/c1-3-27(4-2)16-6-8-17(9-7-16)28-23(29)22(34-25(28)33)14-18-10-12-21(32-18)19-13-15(24(30)31)5-11-20(19)26/h5-14H,3-4H2,1-2H3,(H,30,31)/b22-14+InChIKey
UPJZXBAASCVHAY-HYARGMPZSA-NSynonyms
4CHLORO3(5((E)(3(4(DIETHYLAMINO)PHENYL)4OXO2SULFANYLIDENE13THIAZOLIDIN5YLIDENE)METHYL)FURAN2YL)BENZOICACID
4chloro3(5((E)(3(4(diethylamino)phenyl)4oxo2thioxo13thiazolidin5ylidene)methyl)furan2yl)benzoicacid
CCN(c1ccc(cc1)N1C(=S)SC(=Cc2ccc(o2)c2cc(ccc2Cl)C(=O)O)C1=O)CC
CCN(CC)C1=CC=C(C=C1)N2C(=O)C(=CC3=CC=C(O3)C4=C(C=CC(=C4)C(=O)O)Cl)SC2=S
InChI=1SC25H21ClN2O4S2c1327(42)166817(9716)2823(29)22(3425(28)33)1418101221(3218)191315(24(30)31)51120(19)26h514H34H212H3(H3031)b2214+
MFCD04084132
ZINC000009310418
ZINC9310418
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