Vitas-M small molecule compound

(5Z)-3-methyl-5-({3-[3-methyl-4-(3-methylbutoxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-2-thioxo-1,3-thiazolidin-4-one

Catalog ID
STK703033
SMILES CC(CCOc1ccc(cc1C)c1nn(cc1/C=C/1\SC(=S)N(C1=O)C)c1ccccc1)C

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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 C26H27N3O2S2 MW 477.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H27N3O2S2/c1-17(2)12-13-31-22-11-10-19(14-18(22)3)24-20(15-23-25(30)28(4)26(32)33-23)16-29(27-24)21-8-6-5-7-9-21/h5-11,14-17H,12-13H2,1-4H3/b23-15-
InChIKey
YIBZZRGUFMQGBV-HAHDFKILSA-N
Synonyms

(5Z)3methyl5((3(3methyl4(3methylbutoxy)phenyl)1phenyl1Hpyrazol4yl)methylidene)2thioxo13thiazolidin4one
(5Z)3METHYL5((3(3METHYL4(3METHYLBUTOXY)PHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN4ONE
(Z)5((3(4(isopentyloxy)3methylphenyl)1phenyl1Hpyrazol4yl)methylene)3methyl2thioxothiazolidin4one
CC(CCOc1ccc(cc1C)c1nn(cc1C=C1SC(=S)N(C1=O)C)c1ccccc1)C
CC1=C(C=CC(=C1)C2=NN(C=C2C=C3C(=O)N(C(=S)S3)C)C4=CC=CC=C4)OCCC(C)C
InChI=1SC26H27N3O2S2c117(2)12133122111019(1418(22)3)2420(152325(30)28(4)26(32)3323)1629(2724)218657921h5111417H1213H214H3b2315
MFCD02995959
ZINC000002304267
ZINC02304267
ZINC2304267

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Available files

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