Vitas-M small molecule compound
(5E)-3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-5-[2-(pentyloxy)benzylidene]-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK703899
SMILES CCCCCOc1ccccc1/C=C\1/SC(=S)N(C1=O)c1c(C)n(n(c1=O)c1ccccc1)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 C26H27N3O3S2 MW 493.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H27N3O3S2/c1-4-5-11-16-32-21-15-10-9-12-19(21)17-22-24(30)28(26(33)34-22)23-18(2)27(3)29(25(23)31)20-13-7-6-8-14-20/h6-10,12-15,17H,4-5,11,16H2,1-3H3/b22-17+InChIKey
CZOORIREDDMAKL-OQKWZONESA-NSynonyms
(5E)3(15dimethyl3oxo2phenyl23dihydro1Hpyrazol4yl)5(2(pentyloxy)benzylidene)2thioxo13thiazolidin4one
(5E)3(15dimethyl3oxo2phenylpyrazol4yl)5((2pentoxyphenyl)methylidene)2sulfanylidene13thiazolidin4one
(Z)3(15dimethyl3oxo2phenyl23dihydro1Hpyrazol4yl)5(2(pentyloxy)benzylidene)2thioxothiazolidin4one
CCCCCOC1=CC=CC=C1C=C2C(=O)N(C(=S)S2)C3=C(N(N(C3=O)C4=CC=CC=C4)C)C
CCCCCOc1ccccc1C=C1SC(=S)N(C1=O)c1c(C)n(n(c1=O)c1ccccc1)C
InChI=1SC26H27N3O3S2c14511163221151091219(21)172224(30)28(26(33)3422)2318(2)27(3)29(25(23)31)20137681420h610121517H451116H213H3b2217+
MFCD04446132
ZINC000026532026
ZINC26532026
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