Vitas-M small molecule compound
(5Z)-3-(2-ethylhexyl)-5-{[3-(4-methoxy-2-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK703714
SMILES CCCCC(CN1C(=S)S/C(=C\c2cn(nc2c2ccc(cc2C)OC)c2ccccc2)/C1=O)CC
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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 C29H33N3O2S2 MW 519.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H33N3O2S2/c1-5-7-11-21(6-2)18-31-28(33)26(36-29(31)35)17-22-19-32(23-12-9-8-10-13-23)30-27(22)25-15-14-24(34-4)16-20(25)3/h8-10,12-17,19,21H,5-7,11,18H2,1-4H3/b26-17-InChIKey
SIMNBLHTCHUJGJ-ONUIUJJFSA-NSynonyms
(5Z)3(2ethylhexyl)5((3(4methoxy2methylphenyl)1phenyl1Hpyrazol4yl)methylidene)2thioxo13thiazolidin4one
(5Z)3(2ethylhexyl)5((3(4methoxy2methylphenyl)1phenylpyrazol4yl)methylidene)2sulfanylidene13thiazolidin4one
(Z)3(2ethylhexyl)5((3(4methoxy2methylphenyl)1phenyl1Hpyrazol4yl)methylene)2thioxothiazolidin4one
3(2ETHYLHEXYL)5((3(4METHOXY2METHYLPHENYL)1PHENYL1HPYRAZOL4YL)METHYLENE)2THIOXOTHIAZOLIDIN4ONE
CCCCC(CC)CN1C(=O)C(=CC2=CN(N=C2C3=C(C=C(C=C3)OC)C)C4=CC=CC=C4)SC1=S
CCCCC(CN1C(=S)SC(=Cc2cn(nc2c2ccc(cc2C)OC)c2ccccc2)C1=O)CC
InChI=1SC29H33N3O2S2c1571121(62)183128(33)26(3629(31)35)17221932(231298101323)3027(22)25151424(344)1620(25)3h81012171921H571118H214H3b2617
MFCD03665934
ZINC000009166688
ZINC000009166693
Check stock
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Check stock on Vitas-MAvailable files
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