Vitas-M small molecule compound
(5Z)-5-({3-[2-methyl-4-(2-methylpropoxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-3-(tetrahydrofuran-2-ylmethyl)-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK600159
SMILES CC(COc1ccc(c(c1)C)c1nn(cc1/C=C/1\SC(=S)N(C1=O)CC1CCCO1)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 C29H31N3O3S2 MW 533.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H31N3O3S2/c1-19(2)18-35-23-11-12-25(20(3)14-23)27-21(16-32(30-27)22-8-5-4-6-9-22)15-26-28(33)31(29(36)37-26)17-24-10-7-13-34-24/h4-6,8-9,11-12,14-16,19,24H,7,10,13,17-18H2,1-3H3/b26-15-InChIKey
WQJPKUCRLVJOBG-YSMPRRRNSA-NSynonyms
956204-98-1(5Z)5((3(2methyl4(2methylpropoxy)phenyl)1phenyl1Hpyrazol4yl)methylidene)3(tetrahydrofuran2ylmethyl)2thioxo13thiazolidin4one
(5Z)5((3(2METHYL4(2METHYLPROPOXY)PHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)3(OXOLAN2YLMETHYL)2SULFANYLIDENE13THIAZOLIDIN4ONE
(Z)5((3(4isobutoxy2methylphenyl)1phenyl1Hpyrazol4yl)methylene)3((tetrahydrofuran2yl)methyl)2thioxothiazolidin4one
956204981
CC(COc1ccc(c(c1)C)c1nn(cc1C=C1SC(=S)N(C1=O)CC1CCCO1)c1ccccc1)C
CC1=C(C=CC(=C1)OCC(C)C)C2=NN(C=C2C=C3C(=O)N(C(=S)S3)CC4CCCO4)C5=CC=CC=C5
InChI=1SC29H31N3O3S2c119(2)183523111225(20(3)1423)2721(1632(3027)228546922)152628(33)31(29(36)3726)1724107133424h4689111214161924H710131718H213H3b2615
MFCD03666572
ZINC000100960411
ZINC000100960416
Check stock
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Check stock on Vitas-MAvailable files
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