Vitas-M small molecule compound

(5E)-3-{[4-(3-methylphenyl)piperazin-1-yl]methyl}-5-(4-propoxybenzylidene)-2-thioxo-1,3-thiazolidin-4-one

Catalog ID
STK952587
SMILES CCCOc1ccc(cc1)/C=C\1/SC(=S)N(C1=O)CN1CCN(CC1)c1cccc(c1)C

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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 C25H29N3O2S2 MW 467.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H29N3O2S2/c1-3-15-30-22-9-7-20(8-10-22)17-23-24(29)28(25(31)32-23)18-26-11-13-27(14-12-26)21-6-4-5-19(2)16-21/h4-10,16-17H,3,11-15,18H2,1-2H3/b23-17+
InChIKey
DNQOOOWPBFAINT-HAVVHWLPSA-N
Synonyms
327076-49-3
(5E)3((4(3methylphenyl)piperazin1yl)methyl)5((4propoxyphenyl)methylidene)2sulfanylidene13thiazolidin4one
(5E)3((4(3methylphenyl)piperazin1yl)methyl)5(4propoxybenzylidene)2thioxo13thiazolidin4one
(E)5(4propoxybenzylidene)2thioxo3((4(mtolyl)piperazin1yl)methyl)thiazolidin4one
3((4(3METHYLPHENYL)PIPERAZINYL)METHYL)5((4PROPOXYPHENYL)METHYLENE)2THIOXO13THIAZOLIDIN4ONE
327076493
CCCOC1=CC=C(C=C1)C=C2C(=O)N(C(=S)S2)CN3CCN(CC3)C4=CC=CC(=C4)C
CCCOc1ccc(cc1)C=C1SC(=S)N(C1=O)CN1CCN(CC1)c1cccc(c1)C
InChI=1SC25H29N3O2S2c131530229720(81022)172324(29)28(25(31)3223)1826111327(141226)2164519(2)1621h4101617H3111518H212H3b2317+
MFCD02653529
ZINC000020064910
ZINC20064910

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Available files

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