Vitas-M small molecule compound
3-[(5Z)-5-{[3-(4-butoxy-2-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoic acid
Catalog ID
STK515849
SMILES CCCCOc1ccc(c(c1)C)c1nn(cc1/C=C/1\SC(=S)N(C1=O)CCC(=O)O)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 C27H27N3O4S2 MW 521.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27N3O4S2/c1-3-4-14-34-21-10-11-22(18(2)15-21)25-19(17-30(28-25)20-8-6-5-7-9-20)16-23-26(33)29(27(35)36-23)13-12-24(31)32/h5-11,15-17H,3-4,12-14H2,1-2H3,(H,31,32)/b23-16-InChIKey
VHHRVFYNUASJPN-KQWNVCNZSA-NSynonyms
956443-61-1(Z)3(5((3(4butoxy2methylphenyl)1phenyl1Hpyrazol4yl)methylene)4oxo2thioxothiazolidin3yl)propanoicacid
3((5Z)5((3(4butoxy2methylphenyl)1phenyl1Hpyrazol4yl)methylidene)4oxo2thioxo13thiazolidin3yl)propanoicacid
3((5Z)5((3(4BUTOXY2METHYLPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)PROPANOICACID
956443611
CCCCOC1=CC(=C(C=C1)C2=NN(C=C2C=C3C(=O)N(C(=S)S3)CCC(=O)O)C4=CC=CC=C4)C
CCCCOc1ccc(c(c1)C)c1nn(cc1C=C1SC(=S)N(C1=O)CCC(=O)O)c1ccccc1
InChI=1SC27H27N3O4S2c134143421101122(18(2)1521)2519(1730(2825)208657920)162326(33)29(27(35)3623)131224(31)32h5111517H341214H212H3(H3132)b2316
MFCD03667866
ZINC000009345289
ZINC9345289
Check stock
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Check stock on Vitas-MAvailable files
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