Vitas-M small molecule compound

methyl 3-[(5Z)-5-{4-[(2-chlorobenzyl)oxy]-3-methoxybenzylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoate

Catalog ID
STL331084
SMILES COC(=O)CCN1C(=S)S/C(=C\c2ccc(c(c2)OC)OCc2ccccc2Cl)/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 C22H20ClNO5S2 MW 477.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20ClNO5S2/c1-27-18-11-14(7-8-17(18)29-13-15-5-3-4-6-16(15)23)12-19-21(26)24(22(30)31-19)10-9-20(25)28-2/h3-8,11-12H,9-10,13H2,1-2H3/b19-12-
InChIKey
HWVUJBLCKGJSSE-UNOMPAQXSA-N
Synonyms
303117-41-1
(Z)methyl3(5(4((2chlorobenzyl)oxy)3methoxybenzylidene)4oxo2thioxothiazolidin3yl)propanoate
303117411
COC(=O)CCN1C(=S)SC(=Cc2ccc(c(c2)OC)OCc2ccccc2Cl)C1=O
COC1=C(C=CC(=C1)C=C2C(=O)N(C(=S)S2)CCC(=O)OC)OCC3=CC=CC=C3Cl
InChI=1SC22H20ClNO5S2c127181114(7817(18)291315534616(15)23)121921(26)24(22(30)3119)10920(25)282h381112H91013H212H3b1912
METHYL3((5Z)5((4((2CHLOROPHENYL)METHOXY)3METHOXYPHENYL)METHYLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)PROPANOATE
methyl3((5Z)5(4((2chlorobenzyl)oxy)3methoxybenzylidene)4oxo2thioxo13thiazolidin3yl)propanoate
METHYL3(5((4((2CHLOROPHENYL)METHOXY)3METHOXYPHENYL)METHYLENE)4OXO2THIOXO13THIAZOLIDIN3YL)PROPANOATE
MFCD02332169
ZINC000001218878
ZINC01218878
ZINC1218878

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.