Vitas-M small molecule compound
3-[(5Z)-5-{[3-(3-bromo-4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoic acid
Catalog ID
STK821733
SMILES COc1ccc(cc1Br)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 C23H18BrN3O4S2 MW 544.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H18BrN3O4S2/c1-31-18-8-7-14(11-17(18)24)21-15(13-27(25-21)16-5-3-2-4-6-16)12-19-22(30)26(23(32)33-19)10-9-20(28)29/h2-8,11-13H,9-10H2,1H3,(H,28,29)/b19-12-InChIKey
ONLHYUDXIGEMKY-UNOMPAQXSA-NSynonyms
3((5Z)5((3(3bromo4methoxyphenyl)1phenyl1Hpyrazol4yl)methylidene)4oxo2thioxo13thiazolidin3yl)propanoicacid
3((5Z)5((3(3BROMO4METHOXYPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)PROPANOICACID
COC1=C(C=C(C=C1)C2=NN(C=C2C=C3C(=O)N(C(=S)S3)CCC(=O)O)C4=CC=CC=C4)Br
COc1ccc(cc1Br)c1nn(cc1C=C1SC(=S)N(C1=O)CCC(=O)O)c1ccccc1
InChI=1SC23H18BrN3O4S2c131188714(1117(18)24)2115(1327(2521)165324616)121922(30)26(23(32)3319)10920(28)29h281113H910H21H3(H2829)b1912
MFCD03462978
ZINC000097946965
ZINC97946965
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