Vitas-M small molecule compound
(5Z)-3-(1,3-benzodioxol-5-ylmethyl)-5-{[1-phenyl-3-(2,4,6-trimethylphenyl)-1H-pyrazol-4-yl]methylidene}-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK817087
SMILES Cc1cc(C)c(c(c1)C)c1nn(cc1/C=C/1\SC(=S)N(C1=O)Cc1ccc2c(c1)OCO2)c1ccccc1
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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 C30H25N3O3S2 MW 539.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H25N3O3S2/c1-18-11-19(2)27(20(3)12-18)28-22(16-33(31-28)23-7-5-4-6-8-23)14-26-29(34)32(30(37)38-26)15-21-9-10-24-25(13-21)36-17-35-24/h4-14,16H,15,17H2,1-3H3/b26-14-InChIKey
GKCOODUTPVIHDW-WGARJPEWSA-NSynonyms
955888-25-2(5Z)3(13benzodioxol5ylmethyl)5((1phenyl3(246trimethylphenyl)1Hpyrazol4yl)methylidene)2thioxo13thiazolidin4one
(5Z)3(13BENZODIOXOL5YLMETHYL)5((1PHENYL3(246TRIMETHYLPHENYL)PYRAZOL4YL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN4ONE
(Z)3(benzo(d)(13)dioxol5ylmethyl)5((3mesityl1phenyl1Hpyrazol4yl)methylene)2thioxothiazolidin4one
955888252
CC1=CC(=C(C(=C1)C)C2=NN(C=C2C=C3C(=O)N(C(=S)S3)CC4=CC5=C(C=C4)OCO5)C6=CC=CC=C6)C
Cc1cc(C)c(c(c1)C)c1nn(cc1C=C1SC(=S)N(C1=O)Cc1ccc2c(c1)OCO2)c1ccccc1
InChI=1SC30H25N3O3S2c1181119(2)27(20(3)1218)2822(1633(3128)237546823)142629(34)32(30(37)3826)15219102425(1321)36173524h41416H1517H213H3b2614
MFCD03213167
ZINC000002376420
ZINC2376420
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.