Vitas-M small molecule compound
(5E)-5-(2-butoxybenzylidene)-3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK816777
SMILES CCCCOc1ccccc1/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 C25H25N3O3S2 MW 479.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25N3O3S2/c1-4-5-15-31-20-14-10-9-11-18(20)16-21-23(29)27(25(32)33-21)22-17(2)26(3)28(24(22)30)19-12-7-6-8-13-19/h6-14,16H,4-5,15H2,1-3H3/b21-16+InChIKey
SJIJMFXYIPLASH-LTGZKZEYSA-NSynonyms
(5E)5((2BUTOXYPHENYL)METHYLIDENE)3(15DIMETHYL3OXO2PHENYLPYRAZOL4YL)2SULFANYLIDENE13THIAZOLIDIN4ONE
(5E)5(2butoxybenzylidene)3(15dimethyl3oxo2phenyl23dihydro1Hpyrazol4yl)2thioxo13thiazolidin4one
(Z)5(2butoxybenzylidene)3(15dimethyl3oxo2phenyl23dihydro1Hpyrazol4yl)2thioxothiazolidin4one
CCCCOC1=CC=CC=C1C=C2C(=O)N(C(=S)S2)C3=C(N(N(C3=O)C4=CC=CC=C4)C)C
CCCCOc1ccccc1C=C1SC(=S)N(C1=O)c1c(C)n(n(c1=O)c1ccccc1)C
InChI=1SC25H25N3O3S2c145153120141091118(20)162123(29)27(25(32)3321)2217(2)26(3)28(24(22)30)19127681319h61416H4515H213H3b2116+
MFCD04446136
ZINC000026532048
ZINC26532048
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