Vitas-M small molecule compound

N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-[(5Z)-5-(3-methoxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-N-methylacetamide

Catalog ID
STK601484
SMILES COc1cccc(c1)/C=C/1\SC(=S)N(C1=O)CC(=O)N(C1CCS(=O)(=O)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 C18H20N2O5S3 MW 440.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H20N2O5S3/c1-19(13-6-7-28(23,24)11-13)16(21)10-20-17(22)15(27-18(20)26)9-12-4-3-5-14(8-12)25-2/h3-5,8-9,13H,6-7,10-11H2,1-2H3/b15-9-
InChIKey
HCLCQXGSLSIPDC-DHDCSXOGSA-N
Synonyms
892626-63-0
(Z)N(11dioxidotetrahydrothiophen3yl)2(5(3methoxybenzylidene)4oxo2thioxothiazolidin3yl)Nmethylacetamide
892626630
CN(C1CCS(=O)(=O)C1)C(=O)CN2C(=O)C(=CC3=CC(=CC=C3)OC)SC2=S
COc1cccc(c1)C=C1SC(=S)N(C1=O)CC(=O)N(C1CCS(=O)(=O)C1)C
InChI=1SC18H20N2O5S3c119(136728(2324)1113)16(21)102017(22)15(2718(20)26)91243514(812)252h358913H671011H212H3b159
MFCD06792180
N(11dioxidotetrahydrothiophen3yl)2((5Z)5(3methoxybenzylidene)4oxo2thioxo13thiazolidin3yl)Nmethylacetamide
N(11DIOXOTHIOLAN3YL)2((5Z)5((3METHOXYPHENYL)METHYLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)NMETHYLACETAMIDE
N(11DIOXOTHIOLAN3YL)2(5((3METHOXYPHENYL)METHYLENE)4OXO2THIOXO(13THIAZOLIDIN3YL))NMETHYLACETAMIDE
ZINC000009429394
ZINC000009429397

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Available files

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