Vitas-M small molecule compound

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

Catalog ID
STK822048
SMILES COc1ccc(cc1)c1nn(cc1/C=C/1\SC(=S)N(C1=O)CCS(=O)(=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 C22H19N3O5S3 MW 501.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19N3O5S3/c1-30-18-9-7-15(8-10-18)20-16(14-25(23-20)17-5-3-2-4-6-17)13-19-21(26)24(22(31)32-19)11-12-33(27,28)29/h2-10,13-14H,11-12H2,1H3,(H,27,28,29)/b19-13-
InChIKey
WHBGBEVNCRHNNL-UYRXBGFRSA-N
Synonyms

2((5Z)5((3(4METHOXYPHENYL)1PHENYL1HPYRAZOL4YL)METHYLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)ETHANE1SULFONICACID
2((5Z)5((3(4methoxyphenyl)1phenyl1Hpyrazol4yl)methylidene)4oxo2thioxo13thiazolidin3yl)ethanesulfonicacid
2((5Z)5((3(4METHOXYPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)ETHANESULFONICACID
COC1=CC=C(C=C1)C2=NN(C=C2C=C3C(=O)N(C(=S)S3)CCS(=O)(=O)O)C4=CC=CC=C4
COc1ccc(cc1)c1nn(cc1C=C1SC(=S)N(C1=O)CCS(=O)(=O)O)c1ccccc1
InChI=1SC22H19N3O5S3c130189715(81018)2016(1425(2320)175324617)131921(26)24(22(31)3219)111233(2728)29h2101314H1112H21H3(H272829)b1913
MFCD03463212
RHODANINEDERIVATIVE40
ZINC000012274914
ZINC12274914

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.