Vitas-M small molecule compound
(5E)-5-{3-chloro-5-ethoxy-4-[(3-methylbenzyl)oxy]benzylidene}-3-(prop-2-en-1-yl)-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK043845
SMILES C=CCN1C(=S)S/C(=C/c2cc(Cl)c(c(c2)OCC)OCc2cccc(c2)C)/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/c1-4-9-25-22(26)20(30-23(25)29)13-17-11-18(24)21(19(12-17)27-5-2)28-14-16-8-6-7-15(3)10-16/h4,6-8,10-13H,1,5,9,14H2,2-3H3/b20-13+InChIKey
AHIHMWUYCQGMII-DEDYPNTBSA-NSynonyms
(5E)5((3CHLORO5ETHOXY4((3METHYLPHENYL)METHOXY)PHENYL)METHYLIDENE)3PROP2ENYL2SULFANYLIDENE13THIAZOLIDIN4ONE
(5E)5(3CHLORO5ETHOXY4((3METHYLBENZYL)OXY)BENZYLIDENE)3(PROP2EN1YL)2THIOXO13THIAZOLIDIN4ONE
C=CCN1C(=S)SC(=Cc2cc(Cl)c(c(c2)OCC)OCc2cccc(c2)C)C1=O
CCOC1=C(C(=CC(=C1)C=C2C(=O)N(C(=S)S2)CC=C)Cl)OCC3=CC=CC(=C3)C
InChI=1SC23H22ClNO3S2c1492522(26)20(3023(25)29)13171118(24)21(19(1217)2752)28141686715(3)1016h4681013H15914H223H3b2013+
MFCD03138312
STK043845
ZINC000002856629
ZINC02856629
ZINC2856629
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