Vitas-M small molecule compound

[(5Z)-5-({3-[3-methyl-4-(2-methylpropoxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetic acid

Catalog ID
STK988029
SMILES CC(COc1ccc(cc1C)c1nn(cc1/C=C/1\SC(=S)N(C1=O)CC(=O)O)c1ccccc1)C

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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/c1-16(2)15-33-21-10-9-18(11-17(21)3)24-19(13-29(27-24)20-7-5-4-6-8-20)12-22-25(32)28(14-23(30)31)26(34)35-22/h4-13,16H,14-15H2,1-3H3,(H,30,31)/b22-12-
InChIKey
QKNXQMITLBRYCL-UUYOSTAYSA-N
Synonyms
955863-35-1
((5Z)5((3(3methyl4(2methylpropoxy)phenyl)1phenyl1Hpyrazol4yl)methylidene)4oxo2thioxo13thiazolidin3yl)aceticacid
(Z)2(5((3(4isobutoxy3methylphenyl)1phenyl1Hpyrazol4yl)methylene)4oxo2thioxothiazolidin3yl)aceticacid
2((5Z)5((3(3METHYL4(2METHYLPROPOXY)PHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)ACETICACID
2(5((3(3METHYL4(2METHYLPROPOXY)PHENYL)1PHENYLPYRAZOL4YL)METHYLENE)4OXO2THIOXO13THIAZOLIDIN3YL)ACETICACID
955863351
CC(COc1ccc(cc1C)c1nn(cc1C=C1SC(=S)N(C1=O)CC(=O)O)c1ccccc1)C
CC1=C(C=CC(=C1)C2=NN(C=C2C=C3C(=O)N(C(=S)S3)CC(=O)O)C4=CC=CC=C4)OCC(C)C
InChI=1SC26H25N3O4S2c116(2)15332110918(1117(21)3)2419(1329(2724)207546820)122225(32)28(1423(30)31)26(34)3522h41316H1415H213H3(H3031)b2212
MFCD03664031
ZINC000013619018
ZINC13619018

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Available files

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