Vitas-M small molecule compound

4-[(5Z)-5-{[3-(4-ethoxy-2-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanoic acid

Catalog ID
STL300074
SMILES CCOc1ccc(c(c1)C)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 C26H25N3O4S2 MW 507.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25N3O4S2/c1-3-33-20-11-12-21(17(2)14-20)24-18(16-29(27-24)19-8-5-4-6-9-19)15-22-25(32)28(26(34)35-22)13-7-10-23(30)31/h4-6,8-9,11-12,14-16H,3,7,10,13H2,1-2H3,(H,30,31)/b22-15-
InChIKey
NHXASFJCYNEZJG-JCMHNJIXSA-N
Synonyms
955869-78-0
(Z)4(5((3(4ethoxy2methylphenyl)1phenyl1Hpyrazol4yl)methylene)4oxo2thioxothiazolidin3yl)butanoicacid
4((5Z)5((3(4ethoxy2methylphenyl)1phenyl1Hpyrazol4yl)methylidene)4oxo2thioxo13thiazolidin3yl)butanoicacid
4((5Z)5((3(4ETHOXY2METHYLPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)BUTANOICACID
4(5((3(4ETHOXY2METHYLPHENYL)1PHENYLPYRAZOL4YL)METHYLENE)4OXO2THIOXO13THIAZOLIDIN3YL)BUTANOICACID
955869780
CCOC1=CC(=C(C=C1)C2=NN(C=C2C=C3C(=O)N(C(=S)S3)CCCC(=O)O)C4=CC=CC=C4)C
CCOc1ccc(c(c1)C)c1nn(cc1C=C1SC(=S)N(C1=O)CCCC(=O)O)c1ccccc1
InChI=1SC26H25N3O4S2c133320111221(17(2)1420)2418(1629(2724)198546919)152225(32)28(26(34)3522)1371023(30)31h468911121416H371013H212H3(H3031)b2215
MFCD03418446
ZINC000002363139
ZINC2363139

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Available files

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