Vitas-M small molecule compound

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

Catalog ID
STK906614
SMILES CCCOc1cccc(c1)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 C26H25N3O4S3 MW 539.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25N3O4S3/c1-2-12-33-22-10-6-7-18(14-22)24-19(16-28(27-24)20-8-4-3-5-9-20)15-23-25(30)29(26(34)35-23)21-11-13-36(31,32)17-21/h3-10,14-16,21H,2,11-13,17H2,1H3/b23-15-
InChIKey
QNXITQOEXBTZIK-HAHDFKILSA-N
Synonyms
1010869-57-4
(5Z)3(11dioxidotetrahydrothiophen3yl)5((1phenyl3(3propoxyphenyl)1Hpyrazol4yl)methylidene)2thioxo13thiazolidin4one
(5Z)3(11DIOXOTHIOLAN3YL)5((1PHENYL3(3PROPOXYPHENYL)PYRAZOL4YL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN4ONE
(Z)3(11dioxidotetrahydrothiophen3yl)5((1phenyl3(3propoxyphenyl)1Hpyrazol4yl)methylene)2thioxothiazolidin4one
1010869574
CCCOC1=CC=CC(=C1)C2=NN(C=C2C=C3C(=O)N(C(=S)S3)C4CCS(=O)(=O)C4)C5=CC=CC=C5
CCCOc1cccc(c1)c1nn(cc1C=C1SC(=S)N(C1=O)C1CCS(=O)(=O)C1)c1ccccc1
InChI=1SC26H25N3O4S3c12123322106718(1422)2419(1628(2724)208435920)152325(30)29(26(34)3523)21111336(3132)1721h310141621H2111317H21H3b2315
MFCD05696713
ZINC000101233478
ZINC000101233485

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Available files

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