Vitas-M small molecule compound

methyl 6-[(5E)-5-(3-hydroxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]hexanoate

Catalog ID
STK969718
SMILES COC(=O)CCCCCN1C(=S)S/C(=C/c2cccc(c2)O)/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 C17H19NO4S2 MW 365.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H19NO4S2/c1-22-15(20)8-3-2-4-9-18-16(21)14(24-17(18)23)11-12-6-5-7-13(19)10-12/h5-7,10-11,19H,2-4,8-9H2,1H3/b14-11+
InChIKey
PMQYPUDRJMXBKG-SDNWHVSQSA-N
Synonyms
329224-47-7
(E)methyl6(5(3hydroxybenzylidene)4oxo2thioxothiazolidin3yl)hexanoate
329224477
COC(=O)CCCCCN1C(=O)C(=CC2=CC(=CC=C2)O)SC1=S
COC(=O)CCCCCN1C(=S)SC(=Cc2cccc(c2)O)C1=O
InChI=1SC17H19NO4S2c12215(20)832491816(21)14(2417(18)23)111265713(19)1012h57101119H2489H21H3b1411+
METHYL6((5E)5((3HYDROXYPHENYL)METHYLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)HEXANOATE
methyl6((5E)5(3hydroxybenzylidene)4oxo2thioxo13thiazolidin3yl)hexanoate
METHYL6(5((3HYDROXYPHENYL)METHYLENE)4OXO2THIOXO13THIAZOLIDIN3YL)HEXANOATE
MFCD02350961
ZINC000004860304
ZINC04860304
ZINC4860304

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Available files

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