Vitas-M small molecule compound

N-[2-(3,4-dihydroxyphenyl)ethyl]-2-{(5Z)-4-oxo-5-[(2E)-3-phenylprop-2-en-1-ylidene]-2-thioxo-1,3-thiazolidin-3-yl}acetamide

Catalog ID
STK607865
SMILES O=C(CN1C(=S)S/C(=C\C=C\c2ccccc2)/C1=O)NCCc1ccc(c(c1)O)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 C22H20N2O4S2 MW 440.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20N2O4S2/c25-17-10-9-16(13-18(17)26)11-12-23-20(27)14-24-21(28)19(30-22(24)29)8-4-7-15-5-2-1-3-6-15/h1-10,13,25-26H,11-12,14H2,(H,23,27)/b7-4+,19-8-
InChIKey
UVCQBHSJYYLVRM-LLLGHMJXSA-N
Synonyms
902332-82-5
2(5((2E)3PHENYLPROP2ENYLIDENE)4OXO2THIOXO(13THIAZOLIDIN3YL))N(2(34DIHYDROXYPHENYL)ETHYL)ACETAMIDE
902332825
C1=CC=C(C=C1)C=CC=C2C(=O)N(C(=S)S2)CC(=O)NCCC3=CC(=C(C=C3)O)O
InChI=1SC22H20N2O4S2c251710916(1318(17)26)11122320(27)142421(28)19(3022(24)29)847155213615h110132526H111214H2(H2327)b74+198
MFCD06793147
N(2(34dihydroxyphenyl)ethyl)2((5Z)4oxo5((2E)3phenylprop2en1ylidene)2thioxo13thiazolidin3yl)acetamide
N(2(34dihydroxyphenyl)ethyl)2((5Z)4oxo5((E)3phenylprop2enylidene)2sulfanylidene13thiazolidin3yl)acetamide
N(34dihydroxyphenethyl)2((Z)4oxo5((E)3phenylallylidene)2thioxothiazolidin3yl)acetamide
O=C(CN1C(=S)SC(=CC=Cc2ccccc2)C1=O)NCCc1ccc(c(c1)O)O
ZINC000013575630
ZINC13575630

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Available files

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