Vitas-M small molecule compound
(5Z)-5-{[3-(4-butoxy-3-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-cyclopentyl-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK706633
SMILES CCCCOc1ccc(cc1Cl)c1nn(cc1/C=C/1\SC(=S)N(C1=O)C1CCCC1)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 C28H28ClN3O2S2 MW 538.13 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H28ClN3O2S2/c1-2-3-15-34-24-14-13-19(16-23(24)29)26-20(18-31(30-26)21-9-5-4-6-10-21)17-25-27(33)32(28(35)36-25)22-11-7-8-12-22/h4-6,9-10,13-14,16-18,22H,2-3,7-8,11-12,15H2,1H3/b25-17-InChIKey
RFDKTAYCZROMLF-UQQQWYQISA-NSynonyms
(5Z)5((3(4butoxy3chlorophenyl)1phenyl1Hpyrazol4yl)methylidene)3cyclopentyl2thioxo13thiazolidin4one
(5Z)5((3(4BUTOXY3CHLOROPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)3CYCLOPENTYL2SULFANYLIDENE13THIAZOLIDIN4ONE
(E)5((3(4butoxy3chlorophenyl)1phenyl1Hpyrazol4yl)methylene)3cyclopentyl2thioxothiazolidin4one
CCCCOC1=C(C=C(C=C1)C2=NN(C=C2C=C3C(=O)N(C(=S)S3)C4CCCC4)C5=CC=CC=C5)Cl
CCCCOc1ccc(cc1Cl)c1nn(cc1C=C1SC(=S)N(C1=O)C1CCCC1)c1ccccc1
InChI=1SC28H28ClN3O2S2c123153424141319(1623(24)29)2620(1831(3026)2195461021)172527(33)32(28(35)3625)2211781222h469101314161822H2378111215H21H3b2517
MFCD13371143
ZINC000097947228
ZINC97947228
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