Vitas-M small molecule compound

(5Z)-3-(4-fluorobenzyl)-5-{[3-(3-fluoro-4-propoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-thioxo-1,3-thiazolidin-4-one

Catalog ID
STK880861
SMILES CCCOc1ccc(cc1F)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 C29H23F2N3O2S2 MW 547.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H23F2N3O2S2/c1-2-14-36-25-13-10-20(15-24(25)31)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(30)12-9-19/h3-13,15-16,18H,2,14,17H2,1H3/b26-16-
InChIKey
XFZFDZMIONNFEH-QQXSKIMKSA-N
Synonyms

(5Z)3((4FLUOROPHENYL)METHYL)5((3(3FLUORO4PROPOXYPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN4ONE
(5Z)3(4fluorobenzyl)5((3(3fluoro4propoxyphenyl)1phenyl1Hpyrazol4yl)methylidene)2thioxo13thiazolidin4one
5((3(3FLUORO4PROPOXYPHENYL)1PHENYL1HPYRAZOL4YL)METHYLENE)3(4FLUOROBENZYL)2THIOXOTHIAZOLIDIN4ONE
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)F
CCCOc1ccc(cc1F)c1nn(cc1C=C1SC(=S)N(C1=O)Cc1ccc(cc1)F)c1ccccc1
InChI=1SC29H23F2N3O2S2c12143625131020(1524(25)31)2721(1834(3227)236435723)162628(35)33(29(37)3826)171981122(30)12919h313151618H21417H21H3b2616
MFCD04441406
ZINC000002533081
ZINC2533081

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Available files

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