Vitas-M small molecule compound
(5Z)-3-(1,1-dioxidotetrahydrothiophen-3-yl)-5-({3-[4-(2-methylpropoxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK797023
SMILES CC(COc1ccc(cc1)c1nn(cc1/C=C/1\SC(=S)N(C1=O)C1CCS(=O)(=O)C1)c1ccccc1)C
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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/c1-18(2)16-34-23-10-8-19(9-11-23)25-20(15-29(28-25)21-6-4-3-5-7-21)14-24-26(31)30(27(35)36-24)22-12-13-37(32,33)17-22/h3-11,14-15,18,22H,12-13,16-17H2,1-2H3/b24-14-InChIKey
LEPVYROVSQZHJH-OYKKKHCWSA-NSynonyms
(5Z)3(11dioxidotetrahydrothiophen3yl)5((3(4(2methylpropoxy)phenyl)1phenyl1Hpyrazol4yl)methylidene)2thioxo13thiazolidin4one
(5Z)3(11DIOXOTHIOLAN3YL)5((3(4(2METHYLPROPOXY)PHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN4ONE
CC(C)COC1=CC=C(C=C1)C2=NN(C=C2C=C3C(=O)N(C(=S)S3)C4CCS(=O)(=O)C4)C5=CC=CC=C5
CC(COc1ccc(cc1)c1nn(cc1C=C1SC(=S)N(C1=O)C1CCS(=O)(=O)C1)c1ccccc1)C
InChI=1SC27H27N3O4S3c118(2)16342310819(91123)2520(1529(2825)216435721)142426(31)30(27(35)3624)22121337(3233)1722h31114151822H12131617H212H3b2414
MFCD03225806
ZINC000100837078
ZINC000100837079
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