Vitas-M small molecule compound
(5Z)-3-(2-chlorobenzyl)-5-{[3-(4-ethoxy-3-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK812812
SMILES CCOc1ccc(cc1F)c1nn(cc1/C=C/1\SC(=S)N(C1=O)Cc1ccccc1Cl)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 C28H21ClFN3O2S2 MW 550.08 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H21ClFN3O2S2/c1-2-35-24-13-12-18(14-23(24)30)26-20(17-33(31-26)21-9-4-3-5-10-21)15-25-27(34)32(28(36)37-25)16-19-8-6-7-11-22(19)29/h3-15,17H,2,16H2,1H3/b25-15-InChIKey
HVFJZSBMXFSPSK-MYYYXRDXSA-NSynonyms
(5Z)3((2CHLOROPHENYL)METHYL)5((3(4ETHOXY3FLUOROPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN4ONE
(5Z)3(2chlorobenzyl)5((3(4ethoxy3fluorophenyl)1phenyl1Hpyrazol4yl)methylidene)2thioxo13thiazolidin4one
CCOC1=C(C=C(C=C1)C2=NN(C=C2C=C3C(=O)N(C(=S)S3)CC4=CC=CC=C4Cl)C5=CC=CC=C5)F
CCOc1ccc(cc1F)c1nn(cc1C=C1SC(=S)N(C1=O)Cc1ccccc1Cl)c1ccccc1
InChI=1SC28H21ClFN3O2S2c123524131218(1423(24)30)2620(1733(3126)2194351021)152527(34)32(28(36)3725)16198671122(19)29h31517H216H21H3b2515
MFCD06265083
ZINC000097946494
ZINC97946494
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