Vitas-M small molecule compound

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

Catalog ID
STK880862
SMILES CCCOc1ccc(cc1F)c1nn(cc1/C=C/1\SC(=S)N(C1=O)CC1CCCO1)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 C27H26FN3O3S2 MW 523.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26FN3O3S2/c1-2-12-34-23-11-10-18(14-22(23)28)25-19(16-31(29-25)20-7-4-3-5-8-20)15-24-26(32)30(27(35)36-24)17-21-9-6-13-33-21/h3-5,7-8,10-11,14-16,21H,2,6,9,12-13,17H2,1H3/b24-15-
InChIKey
KDQMORGJZYTJGM-IWIPYMOSSA-N
Synonyms

(5Z)5((3(3fluoro4propoxyphenyl)1phenyl1Hpyrazol4yl)methylidene)3(tetrahydrofuran2ylmethyl)2thioxo13thiazolidin4one
(5Z)5((3(3FLUORO4PROPOXYPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)3(OXOLAN2YLMETHYL)2SULFANYLIDENE13THIAZOLIDIN4ONE
5((3(3FLUORO4PROPOXYPHENYL)1PHENYL1HPYRAZOL4YL)METHYLENE)3((TETRAHYDROFURAN2YL)METHYL)2THIOXOTHIAZOLIDIN4ONE
CCCOC1=C(C=C(C=C1)C2=NN(C=C2C=C3C(=O)N(C(=S)S3)CC4CCCO4)C5=CC=CC=C5)F
InChI=1SC27H26FN3O3S2c12123423111018(1422(23)28)2519(1631(2925)207435820)152426(32)30(27(35)3624)172196133321h35781011141621H269121317H21H3b2415
MFCD03506537
ZINC000002508723
ZINC000016805338

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Available files

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