Vitas-M small molecule compound
3-[(5Z)-5-{[3-(4-butoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoic acid
Catalog ID
STK823864
SMILES CCCCOc1ccc(cc1)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 C26H25N3O4S2 MW 507.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25N3O4S2/c1-2-3-15-33-21-11-9-18(10-12-21)24-19(17-29(27-24)20-7-5-4-6-8-20)16-22-25(32)28(26(34)35-22)14-13-23(30)31/h4-12,16-17H,2-3,13-15H2,1H3,(H,30,31)/b22-16-InChIKey
HHUYHVAMNHSUEK-JWGURIENSA-NSynonyms
3((5Z)5((3(4butoxyphenyl)1phenyl1Hpyrazol4yl)methylidene)4oxo2thioxo13thiazolidin3yl)propanoicacid
3((5Z)5((3(4butoxyphenyl)1phenylpyrazol4yl)methylidene)4oxo2sulfanylidene13thiazolidin3yl)propanoicacid
CCCCOC1=CC=C(C=C1)C2=NN(C=C2C=C3C(=O)N(C(=S)S3)CCC(=O)O)C4=CC=CC=C4
CCCCOc1ccc(cc1)c1nn(cc1C=C1SC(=S)N(C1=O)CCC(=O)O)c1ccccc1
InChI=1SC26H25N3O4S2c12315332111918(101221)2419(1729(2724)207546820)162225(32)28(26(34)3522)141323(30)31h4121617H231315H21H3(H3031)b2216
MFCD18075744
ZINC000028628015
ZINC28628015
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