Vitas-M small molecule compound
(5Z)-5-({3-[2-methyl-3-(2-methylpropoxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-3-pentyl-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK880872
SMILES CCCCCN1C(=S)S/C(=C\c2cn(nc2c2cccc(c2C)OCC(C)C)c2ccccc2)/C1=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 C29H33N3O2S2 MW 519.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H33N3O2S2/c1-5-6-10-16-31-28(33)26(36-29(31)35)17-22-18-32(23-12-8-7-9-13-23)30-27(22)24-14-11-15-25(21(24)4)34-19-20(2)3/h7-9,11-15,17-18,20H,5-6,10,16,19H2,1-4H3/b26-17-InChIKey
SALLAUACHUVBCC-ONUIUJJFSA-NSynonyms
(5Z)5((3(2methyl3(2methylpropoxy)phenyl)1phenyl1Hpyrazol4yl)methylidene)3pentyl2thioxo13thiazolidin4one
(5Z)5((3(2methyl3(2methylpropoxy)phenyl)1phenylpyrazol4yl)methylidene)3pentyl2sulfanylidene13thiazolidin4one
5((3(3ISOBUTOXY2METHYLPHENYL)1PHENYL1HPYRAZOL4YL)METHYLENE)3PENTYL2THIOXOTHIAZOLIDIN4ONE
CCCCCN1C(=O)C(=CC2=CN(N=C2C3=C(C(=CC=C3)OCC(C)C)C)C4=CC=CC=C4)SC1=S
CCCCCN1C(=S)SC(=Cc2cn(nc2c2cccc(c2C)OCC(C)C)c2ccccc2)C1=O
InChI=1SC29H33N3O2S2c15610163128(33)26(3629(31)35)17221832(23128791323)3027(22)2414111525(21(24)4)341920(2)3h791115171820H56101619H214H3b2617
MFCD04441413
ZINC000016729860
ZINC16729860
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