Vitas-M small molecule compound
4-[(E)-(3-butyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl 4-chlorobenzoate
Catalog ID
STK809185
SMILES CCCCN1C(=S)S/C(=C/c2ccc(cc2)OC(=O)c2ccc(cc2)Cl)/C1=O
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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 C21H18ClNO3S2 MW 431.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18ClNO3S2/c1-2-3-12-23-19(24)18(28-21(23)27)13-14-4-10-17(11-5-14)26-20(25)15-6-8-16(22)9-7-15/h4-11,13H,2-3,12H2,1H3/b18-13+InChIKey
GWLQAAWJVDPOKT-QGOAFFKASA-NSynonyms
(4((E)(3BUTYL4OXO2SULFANYLIDENE13THIAZOLIDIN5YLIDENE)METHYL)PHENYL)4CHLOROBENZOATE
4((E)(3butyl4oxo2thioxo13thiazolidin5ylidene)methyl)phenyl4chlorobenzoate
CCCCN1C(=O)C(=CC2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)Cl)SC1=S
CCCCN1C(=S)SC(=Cc2ccc(cc2)OC(=O)c2ccc(cc2)Cl)C1=O
InChI=1SC21H18ClNO3S2c123122319(24)18(2821(23)27)131441017(11514)2620(25)156816(22)9715h41113H2312H21H3b1813+
MFCD03461245
ZINC000016790602
ZINC16790602
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