Vitas-M small molecule compound

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

Catalog ID
STK582558
SMILES COc1cc(ccc1OC)c1nn(cc1/C=C/1\SC(=S)N(C1=O)C1CCS(=O)(=O)C1)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 C25H23N3O5S3 MW 541.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H23N3O5S3/c1-32-20-9-8-16(12-21(20)33-2)23-17(14-27(26-23)18-6-4-3-5-7-18)13-22-24(29)28(25(34)35-22)19-10-11-36(30,31)15-19/h3-9,12-14,19H,10-11,15H2,1-2H3/b22-13-
InChIKey
LKBNNNPZDXHSHV-XKZIYDEJSA-N
Synonyms
956608-14-3
(5Z)5((3(34dimethoxyphenyl)1phenyl1Hpyrazol4yl)methylidene)3(11dioxidotetrahydrothiophen3yl)2thioxo13thiazolidin4one
(5Z)5((3(34DIMETHOXYPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)3(11DIOXOTHIOLAN3YL)2SULFANYLIDENE13THIAZOLIDIN4ONE
(Z)5((3(34dimethoxyphenyl)1phenyl1Hpyrazol4yl)methylene)3(11dioxidotetrahydrothiophen3yl)2thioxothiazolidin4one
956608143
COC1=C(C=C(C=C1)C2=NN(C=C2C=C3C(=O)N(C(=S)S3)C4CCS(=O)(=O)C4)C5=CC=CC=C5)OC
COc1cc(ccc1OC)c1nn(cc1C=C1SC(=S)N(C1=O)C1CCS(=O)(=O)C1)c1ccccc1
InChI=1SC25H23N3O5S3c132209816(1221(20)332)2317(1427(2623)186435718)132224(29)28(25(34)3522)19101136(3031)1519h39121419H101115H212H3b2213
MFCD03663919
ZINC000100954548
ZINC000100954550

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Available files

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