Vitas-M small molecule compound

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

Catalog ID
STK557299
SMILES S=C1S/C(=C\c2cn(nc2c2cccc(c2)OCc2ccccc2)c2ccccc2)/C(=O)N1CCS(=O)(=O)O

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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 C28H23N3O5S3 MW 577.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H23N3O5S3/c32-27-25(38-28(37)30(27)14-15-39(33,34)35)17-22-18-31(23-11-5-2-6-12-23)29-26(22)21-10-7-13-24(16-21)36-19-20-8-3-1-4-9-20/h1-13,16-18H,14-15,19H2,(H,33,34,35)/b25-17-
InChIKey
MVIZLKHQRHPYST-UQQQWYQISA-N
Synonyms

(Z)2(5((3(3(benzyloxy)phenyl)1phenyl1Hpyrazol4yl)methylene)4oxo2thioxothiazolidin3yl)ethanesulfonicacid
2((5Z)4OXO5((1PHENYL3(3PHENYLMETHOXYPHENYL)PYRAZOL4YL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN3YL)ETHANESULFONICACID
2((5Z)5((3(3(benzyloxy)phenyl)1phenyl1Hpyrazol4yl)methylidene)4oxo2thioxo13thiazolidin3yl)ethanesulfonicacid
C1=CC=C(C=C1)COC2=CC=CC(=C2)C3=NN(C=C3C=C4C(=O)N(C(=S)S4)CCS(=O)(=O)O)C5=CC=CC=C5
InChI=1SC28H23N3O5S3c322725(3828(37)30(27)141539(3334)35)17221831(23115261223)2926(22)211071324(1621)3619208314920h1131618H141519H2(H333435)b2517
MFCD04024311
S=C1SC(=Cc2cn(nc2c2cccc(c2)OCc2ccccc2)c2ccccc2)C(=O)N1CCS(=O)(=O)O
ZINC000097947617
ZINC97947617

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Available files

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