Vitas-M small molecule compound

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

Catalog ID
STK706805
SMILES CCCCOc1cccc(c1)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/c1-2-3-14-33-21-11-7-8-18(15-21)24-19(17-29(27-24)20-9-5-4-6-10-20)16-22-25(32)28(26(34)35-22)13-12-23(30)31/h4-11,15-17H,2-3,12-14H2,1H3,(H,30,31)/b22-16-
InChIKey
DOFDEPFYSRKVBP-JWGURIENSA-N
Synonyms
1009438-94-1
(Z)3(5((3(3butoxyphenyl)1phenyl1Hpyrazol4yl)methylene)4oxo2thioxothiazolidin3yl)propanoicacid
1009438941
3((5Z)5((3(3butoxyphenyl)1phenyl1Hpyrazol4yl)methylidene)4oxo2thioxo13thiazolidin3yl)propanoicacid
3((5Z)5((3(3BUTOXYPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)PROPANOICACID
CCCCOC1=CC=CC(=C1)C2=NN(C=C2C=C3C(=O)N(C(=S)S3)CCC(=O)O)C4=CC=CC=C4
CCCCOc1cccc(c1)c1nn(cc1C=C1SC(=S)N(C1=O)CCC(=O)O)c1ccccc1
InChI=1SC26H25N3O4S2c123143321117818(1521)2419(1729(2724)2095461020)162225(32)28(26(34)3522)131223(30)31h4111517H231214H21H3(H3031)b2216
MFCD04034086
ZINC000013757930
ZINC13757930

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Available files

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