Vitas-M small molecule compound
4-[(E)-(3-hexyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl 4-chlorobenzoate
Catalog ID
STK809201
SMILES CCCCCCN1C(=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 C23H22ClNO3S2 MW 460.02 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22ClNO3S2/c1-2-3-4-5-14-25-21(26)20(30-23(25)29)15-16-6-12-19(13-7-16)28-22(27)17-8-10-18(24)11-9-17/h6-13,15H,2-5,14H2,1H3/b20-15+InChIKey
AYHCSDNNDHOFQB-HMMYKYKNSA-NSynonyms
(4((E)(3HEXYL4OXO2SULFANYLIDENE13THIAZOLIDIN5YLIDENE)METHYL)PHENYL)4CHLOROBENZOATE
4((E)(3hexyl4oxo2thioxo13thiazolidin5ylidene)methyl)phenyl4chlorobenzoate
CCCCCCN1C(=O)C(=CC2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)Cl)SC1=S
CCCCCCN1C(=S)SC(=Cc2ccc(cc2)OC(=O)c2ccc(cc2)Cl)C1=O
InChI=1SC23H22ClNO3S2c12345142521(26)20(3023(25)29)151661219(13716)2822(27)1781018(24)11917h61315H2514H21H3b2015+
MFCD03461260
ZINC000016790620
ZINC16790620
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