Vitas-M small molecule compound
(5Z)-5-{[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-(1,1-dioxidotetrahydrothiophen-3-yl)-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK704302
SMILES S=C1S/C(=C\c2cn(nc2c2ccc3c(c2)OCCO3)c2ccccc2)/C(=O)N1C1CCS(=O)(=O)C1
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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 C25H21N3O5S3 MW 539.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21N3O5S3/c29-24-22(35-25(34)28(24)19-8-11-36(30,31)15-19)13-17-14-27(18-4-2-1-3-5-18)26-23(17)16-6-7-20-21(12-16)33-10-9-32-20/h1-7,12-14,19H,8-11,15H2/b22-13-InChIKey
YKQHFYJQDCCGFI-XKZIYDEJSA-NSynonyms
(5Z)5((3(23dihydro14benzodioxin6yl)1phenyl1Hpyrazol4yl)methylidene)3(11dioxidotetrahydrothiophen3yl)2thioxo13thiazolidin4one
(5Z)5((3(23DIHYDRO14BENZODIOXIN6YL)1PHENYLPYRAZOL4YL)METHYLIDENE)3(11DIOXOTHIOLAN3YL)2SULFANYLIDENE13THIAZOLIDIN4ONE
C1CS(=O)(=O)CC1N2C(=O)C(=CC3=CN(N=C3C4=CC5=C(C=C4)OCCO5)C6=CC=CC=C6)SC2=S
InChI=1SC25H21N3O5S3c292422(3525(34)28(24)1981136(3031)1519)13171427(184213518)2623(17)16672021(1216)331093220h17121419H81115H2b2213
MFCD04446481
S=C1SC(=Cc2cn(nc2c2ccc3c(c2)OCCO3)c2ccccc2)C(=O)N1C1CCS(=O)(=O)C1
ZINC000097946608
ZINC000097946609
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