Vitas-M small molecule compound
(5Z)-5-{[3-(3-chloro-4-propoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-(4-fluorobenzyl)-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK816151
SMILES CCCOc1ccc(cc1Cl)c1nn(cc1/C=C/1\SC(=S)N(C1=O)Cc1ccc(cc1)F)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 C29H23ClFN3O2S2 MW 564.10 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H23ClFN3O2S2/c1-2-14-36-25-13-10-20(15-24(25)30)27-21(18-34(32-27)23-6-4-3-5-7-23)16-26-28(35)33(29(37)38-26)17-19-8-11-22(31)12-9-19/h3-13,15-16,18H,2,14,17H2,1H3/b26-16-InChIKey
KMEMFJSVXWMZCO-QQXSKIMKSA-NSynonyms
(5Z)5((3(3chloro4propoxyphenyl)1phenyl1Hpyrazol4yl)methylidene)3(4fluorobenzyl)2thioxo13thiazolidin4one
(5Z)5((3(3CHLORO4PROPOXYPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)3((4FLUOROPHENYL)METHYL)2SULFANYLIDENE13THIAZOLIDIN4ONE
CCCOC1=C(C=C(C=C1)C2=NN(C=C2C=C3C(=O)N(C(=S)S3)CC4=CC=C(C=C4)F)C5=CC=CC=C5)Cl
CCCOc1ccc(cc1Cl)c1nn(cc1C=C1SC(=S)N(C1=O)Cc1ccc(cc1)F)c1ccccc1
InChI=1SC29H23ClFN3O2S2c12143625131020(1524(25)30)2721(1834(3227)236435723)162628(35)33(29(37)3826)171981122(31)12919h313151618H21417H21H3b2616
MFCD06642691
ZINC000097946649
ZINC97946649
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