Vitas-M small molecule compound
(5Z)-3-(1,1-dioxidotetrahydrothiophen-3-yl)-5-{[3-(2-methyl-4-propoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK799152
SMILES CCCOc1ccc(c(c1)C)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 C27H27N3O4S3 MW 553.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27N3O4S3/c1-3-12-34-22-9-10-23(18(2)14-22)25-19(16-29(28-25)20-7-5-4-6-8-20)15-24-26(31)30(27(35)36-24)21-11-13-37(32,33)17-21/h4-10,14-16,21H,3,11-13,17H2,1-2H3/b24-15-InChIKey
YWNGHMRNKOWJBS-IWIPYMOSSA-NSynonyms
(5Z)3(11dioxidotetrahydrothiophen3yl)5((3(2methyl4propoxyphenyl)1phenyl1Hpyrazol4yl)methylidene)2thioxo13thiazolidin4one
(5Z)3(11DIOXOTHIOLAN3YL)5((3(2METHYL4PROPOXYPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN4ONE
CCCOC1=CC(=C(C=C1)C2=NN(C=C2C=C3C(=O)N(C(=S)S3)C4CCS(=O)(=O)C4)C5=CC=CC=C5)C
CCCOc1ccc(c(c1)C)c1nn(cc1C=C1SC(=S)N(C1=O)C1CCS(=O)(=O)C1)c1ccccc1
InChI=1SC27H27N3O4S3c1312342291023(18(2)1422)2519(1629(2825)207546820)152426(31)30(27(35)3624)21111337(3233)1721h410141621H3111317H212H3b2415
MFCD03418121
ZINC000100839769
ZINC000100839771
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