Vitas-M small molecule compound
(5Z)-3-benzyl-5-{[3-(4-butoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK703369
SMILES CCCCOc1ccc(cc1)c1nn(cc1/C=C/1\SC(=S)N(C1=O)Cc1ccccc1)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 C30H27N3O2S2 MW 525.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H27N3O2S2/c1-2-3-18-35-26-16-14-23(15-17-26)28-24(21-33(31-28)25-12-8-5-9-13-25)19-27-29(34)32(30(36)37-27)20-22-10-6-4-7-11-22/h4-17,19,21H,2-3,18,20H2,1H3/b27-19-InChIKey
GIDBGSFQILOSOO-DIBXZPPDSA-NSynonyms
(5Z)3benzyl5((3(4butoxyphenyl)1phenyl1Hpyrazol4yl)methylidene)2thioxo13thiazolidin4one
(5Z)3BENZYL5((3(4BUTOXYPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN4ONE
(Z)3benzyl5((3(4butoxyphenyl)1phenyl1Hpyrazol4yl)methylene)2thioxothiazolidin4one
CCCCOC1=CC=C(C=C1)C2=NN(C=C2C=C3C(=O)N(C(=S)S3)CC4=CC=CC=C4)C5=CC=CC=C5
CCCCOc1ccc(cc1)c1nn(cc1C=C1SC(=S)N(C1=O)Cc1ccccc1)c1ccccc1
InChI=1SC30H27N3O2S2c123183526161423(151726)2824(2133(3128)25128591325)192729(34)32(30(36)3727)2022106471122h4171921H231820H21H3b2719
MFCD02993710
ZINC000008739141
ZINC08739141
ZINC8739141
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