Vitas-M small molecule compound

2-[(5Z)-5-(2,3-dimethoxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-3-phenylpropanoic acid

Catalog ID
STK549523
SMILES COc1c(cccc1OC)/C=C/1\SC(=S)N(C1=O)C(C(=O)O)Cc1ccccc1

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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 C21H19NO5S2 MW 429.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19NO5S2/c1-26-16-10-6-9-14(18(16)27-2)12-17-19(23)22(21(28)29-17)15(20(24)25)11-13-7-4-3-5-8-13/h3-10,12,15H,11H2,1-2H3,(H,24,25)/b17-12-
InChIKey
WEXVYISECLIUJO-ATVHPVEESA-N
Synonyms

(Z)2(5(23dimethoxybenzylidene)4oxo2thioxothiazolidin3yl)3phenylpropanoicacid
2((5Z)5((23DIMETHOXYPHENYL)METHYLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)3PHENYLPROPANOICACID
2((5Z)5(23dimethoxybenzylidene)4oxo2thioxo13thiazolidin3yl)3phenylpropanoicacid
COC1=CC=CC(=C1OC)C=C2C(=O)N(C(=S)S2)C(CC3=CC=CC=C3)C(=O)O
COc1c(cccc1OC)C=C1SC(=S)N(C1=O)C(C(=O)O)Cc1ccccc1
InChI=1SC21H19NO5S2c12616106914(18(16)272)121719(23)22(21(28)2917)15(20(24)25)11137435813h3101215H11H212H3(H2425)b1712
MFCD03691531
ZINC000013713924
ZINC000013713927

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Available files

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