Vitas-M small molecule compound

N-[2-(3,4-dihydroxyphenyl)-2-oxoethyl]-2-[(5Z)-5-(3-fluorobenzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]-N-methylacetamide

Catalog ID
STK995542
SMILES Fc1cccc(c1)/C=C/1\SC(=O)N(C1=O)CC(=O)N(CC(=O)c1ccc(c(c1)O)O)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 C21H17FN2O6S MW 444.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17FN2O6S/c1-23(10-17(27)13-5-6-15(25)16(26)9-13)19(28)11-24-20(29)18(31-21(24)30)8-12-3-2-4-14(22)7-12/h2-9,25-26H,10-11H2,1H3/b18-8-
InChIKey
FIWYXFINISSTQJ-LSCVHKIXSA-N
Synonyms
902046-96-2
(Z)N(2(34dihydroxyphenyl)2oxoethyl)2(5(3fluorobenzylidene)24dioxothiazolidin3yl)Nmethylacetamide
902046962
CN(CC(=O)C1=CC(=C(C=C1)O)O)C(=O)CN2C(=O)C(=CC3=CC(=CC=C3)F)SC2=O
Fc1cccc(c1)C=C1SC(=O)N(C1=O)CC(=O)N(CC(=O)c1ccc(c(c1)O)O)C
InChI=1SC21H17FN2O6Sc123(1017(27)135615(25)16(26)913)19(28)112420(29)18(3121(24)30)81232414(22)712h292526H1011H21H3b188
MFCD06785960
N(2(34dihydroxyphenyl)2oxoethyl)2((5Z)5((3fluorophenyl)methylidene)24dioxo13thiazolidin3yl)Nmethylacetamide
N(2(34dihydroxyphenyl)2oxoethyl)2((5Z)5(3fluorobenzylidene)24dioxo13thiazolidin3yl)Nmethylacetamide
N(2(34DIHYDROXYPHENYL)2OXOETHYL)2(5((3FLUOROPHENYL)METHYLENE)24DIOXO(13THIAZOLIDIN3YL))NMETHYLACETAMIDE
ZINC000013572659
ZINC13572659

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Available files

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