Vitas-M small molecule compound
4-[(5Z)-5-{[3-(4-butoxy-3-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanoic acid
Catalog ID
STK813457
SMILES CCCCOc1ccc(cc1C)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 C28H29N3O4S2 MW 535.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H29N3O4S2/c1-3-4-15-35-23-13-12-20(16-19(23)2)26-21(18-31(29-26)22-9-6-5-7-10-22)17-24-27(34)30(28(36)37-24)14-8-11-25(32)33/h5-7,9-10,12-13,16-18H,3-4,8,11,14-15H2,1-2H3,(H,32,33)/b24-17-InChIKey
IVERBBCDQHIQMV-ULJHMMPZSA-NSynonyms
4((5Z)5((3(4butoxy3methylphenyl)1phenyl1Hpyrazol4yl)methylidene)4oxo2thioxo13thiazolidin3yl)butanoicacid
4((5Z)5((3(4BUTOXY3METHYLPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)BUTANOICACID
4(5((3(4BUTOXY3METHYLPHENYL)1PHENYL1HPYRAZOL4YL)METHYLENE)4OXO2THIOXOTHIAZOLIDIN3YL)BUTANOICACID
CCCCOC1=C(C=C(C=C1)C2=NN(C=C2C=C3C(=O)N(C(=S)S3)CCCC(=O)O)C4=CC=CC=C4)C
CCCCOc1ccc(cc1C)c1nn(cc1C=C1SC(=S)N(C1=O)CCCC(=O)O)c1ccccc1
InChI=1SC28H29N3O4S2c134153523131220(1619(23)2)2621(1831(2926)2296571022)172427(34)30(28(36)3724)1481125(32)33h5791012131618H348111415H212H3(H3233)b2417
MFCD04441577
ZINC000100871477
ZINC100871477
Check stock
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Check stock on Vitas-MAvailable files
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