Vitas-M small molecule compound
(5Z)-5-(4-tert-butylbenzylidene)-3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK988033
SMILES S=C1S/C(=C\c2ccc(cc2)C(C)(C)C)/C(=O)N1c1c(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 C25H25N3O2S2 MW 463.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25N3O2S2/c1-16-21(23(30)28(26(16)5)19-9-7-6-8-10-19)27-22(29)20(32-24(27)31)15-17-11-13-18(14-12-17)25(2,3)4/h6-15H,1-5H3/b20-15-InChIKey
WTKHMZYUPYFGIL-HKWRFOASSA-NSynonyms
797770-09-3(5Z)5((4TERTBUTYLPHENYL)METHYLIDENE)3(15DIMETHYL3OXO2PHENYLPYRAZOL4YL)2SULFANYLIDENE13THIAZOLIDIN4ONE
(5Z)5(4tertbutylbenzylidene)3(15dimethyl3oxo2phenyl23dihydro1Hpyrazol4yl)2thioxo13thiazolidin4one
(Z)5(4(tertbutyl)benzylidene)3(15dimethyl3oxo2phenyl23dihydro1Hpyrazol4yl)2thioxothiazolidin4one
797770093
CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N3C(=O)C(=CC4=CC=C(C=C4)C(C)(C)C)SC3=S
InChI=1SC25H25N3O2S2c11621(23(30)28(26(16)5)1997681019)2722(29)20(3224(27)31)1517111318(141217)25(23)4h615H15H3b2015
MFCD03665629
S=C1SC(=Cc2ccc(cc2)C(C)(C)C)C(=O)N1c1c(C)n(n(c1=O)c1ccccc1)C
ZINC000002373766
ZINC02373766
ZINC2373766
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