Vitas-M small molecule compound

11-[(5Z)-5-{[3-(4-butoxy-2-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]undecanoic acid

Catalog ID
STK810721
SMILES CCCCOc1ccc(c(c1)C)c1nn(cc1/C=C/1\SC(=S)N(C1=O)CCCCCCCCCCC(=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 C35H43N3O4S2 MW 633.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H43N3O4S2/c1-3-4-22-42-29-19-20-30(26(2)23-29)33-27(25-38(36-33)28-16-12-11-13-17-28)24-31-34(41)37(35(43)44-31)21-15-10-8-6-5-7-9-14-18-32(39)40/h11-13,16-17,19-20,23-25H,3-10,14-15,18,21-22H2,1-2H3,(H,39,40)/b31-24-
InChIKey
NWZVDSXVCLTFNH-QLTSDVKISA-N
Synonyms

11((5Z)5((3(4butoxy2methylphenyl)1phenyl1Hpyrazol4yl)methylidene)4oxo2thioxo13thiazolidin3yl)undecanoicacid
11((5Z)5((3(4BUTOXY2METHYLPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)UNDECANOICACID
CCCCOC1=CC(=C(C=C1)C2=NN(C=C2C=C3C(=O)N(C(=S)S3)CCCCCCCCCCC(=O)O)C4=CC=CC=C4)C
CCCCOc1ccc(c(c1)C)c1nn(cc1C=C1SC(=S)N(C1=O)CCCCCCCCCCC(=O)O)c1ccccc1
InChI=1SC35H43N3O4S2c134224229192030(26(2)2329)3327(2538(3633)28161211131728)243134(41)37(35(43)4431)21151086579141832(39)40h1113161719202325H3101415182122H212H3(H3940)b3124
MFCD03933025
ZINC000100840482
ZINC100840482

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Available files

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