Vitas-M small molecule compound

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

Catalog ID
STK706794
SMILES CCCCOc1cccc(c1)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 C27H27N3O4S2 MW 521.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27N3O4S2/c1-2-3-15-34-22-12-7-9-19(16-22)25-20(18-30(28-25)21-10-5-4-6-11-21)17-23-26(33)29(27(35)36-23)14-8-13-24(31)32/h4-7,9-12,16-18H,2-3,8,13-15H2,1H3,(H,31,32)/b23-17-
InChIKey
KDDWRURTTQLXNE-QJOMJCCJSA-N
Synonyms
1009437-62-0
(Z)4(5((3(3butoxyphenyl)1phenyl1Hpyrazol4yl)methylene)4oxo2thioxothiazolidin3yl)butanoicacid
1009437620
4((5Z)5((3(3butoxyphenyl)1phenyl1Hpyrazol4yl)methylidene)4oxo2thioxo13thiazolidin3yl)butanoicacid
4((5Z)5((3(3BUTOXYPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)BUTANOICACID
CCCCOC1=CC=CC(=C1)C2=NN(C=C2C=C3C(=O)N(C(=S)S3)CCCC(=O)O)C4=CC=CC=C4
CCCCOc1cccc(c1)c1nn(cc1C=C1SC(=S)N(C1=O)CCCC(=O)O)c1ccccc1
InChI=1SC27H27N3O4S2c123153422127919(1622)2520(1830(2825)21105461121)172326(33)29(27(35)3623)1481324(31)32h479121618H2381315H21H3(H3132)b2317
MFCD04019253
ZINC000013514303
ZINC13514303

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Available files

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