Vitas-M small molecule compound
4-[(5Z)-5-{[3-(4-ethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanoic acid
Catalog ID
STK701509
SMILES CCOc1ccc(cc1)c1nn(cc1/C=C/1\SC(=S)N(C1=O)CCCC(=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 C25H23N3O4S2 MW 493.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H23N3O4S2/c1-2-32-20-12-10-17(11-13-20)23-18(16-28(26-23)19-7-4-3-5-8-19)15-21-24(31)27(25(33)34-21)14-6-9-22(29)30/h3-5,7-8,10-13,15-16H,2,6,9,14H2,1H3,(H,29,30)/b21-15-InChIKey
JXLIFDFHOQJGPB-QNGOZBTKSA-NSynonyms
4((5Z)5((3(4ethoxyphenyl)1phenyl1Hpyrazol4yl)methylidene)4oxo2thioxo13thiazolidin3yl)butanoicacid
4((5Z)5((3(4ETHOXYPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)BUTANOICACID
CCOC1=CC=C(C=C1)C2=NN(C=C2C=C3C(=O)N(C(=S)S3)CCCC(=O)O)C4=CC=CC=C4
CCOc1ccc(cc1)c1nn(cc1C=C1SC(=S)N(C1=O)CCCC(=O)O)c1ccccc1
InChI=1SC25H23N3O4S2c123220121017(111320)2318(1628(2623)197435819)152124(31)27(25(33)3421)146922(29)30h357810131516H26914H21H3(H2930)b2115
MFCD03461494
ZINC000001452709
ZINC1452709
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