Vitas-M small molecule compound
2-[(5Z)-5-{[3-(3-ethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]ethanesulfonic acid
Catalog ID
STK556502
SMILES CCOc1cccc(c1)c1nn(cc1/C=C/1\SC(=S)N(C1=O)CCS(=O)(=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 C23H21N3O5S3 MW 515.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21N3O5S3/c1-2-31-19-10-6-7-16(13-19)21-17(15-26(24-21)18-8-4-3-5-9-18)14-20-22(27)25(23(32)33-20)11-12-34(28,29)30/h3-10,13-15H,2,11-12H2,1H3,(H,28,29,30)/b20-14-InChIKey
TYUBAKWMSRXSDY-ZHZULCJRSA-NSynonyms
1009189-16-5(Z)2(5((3(3ethoxyphenyl)1phenyl1Hpyrazol4yl)methylene)4oxo2thioxothiazolidin3yl)ethanesulfonicacid
1009189165
2((5Z)5((3(3ethoxyphenyl)1phenyl1Hpyrazol4yl)methylidene)4oxo2thioxo13thiazolidin3yl)ethanesulfonicacid
2((5Z)5((3(3ETHOXYPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)ETHANESULFONICACID
CCOC1=CC=CC(=C1)C2=NN(C=C2C=C3C(=O)N(C(=S)S3)CCS(=O)(=O)O)C4=CC=CC=C4
CCOc1cccc(c1)c1nn(cc1C=C1SC(=S)N(C1=O)CCS(=O)(=O)O)c1ccccc1
InChI=1SC23H21N3O5S3c123119106716(1319)2117(1526(2421)188435918)142022(27)25(23(32)3320)111234(2829)30h3101315H21112H21H3(H282930)b2014
MFCD04018388
ZINC000009470675
ZINC000026841933
ZINC9470675
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.