Vitas-M small molecule compound
(5Z)-5-({3-[4-(2-methylpropoxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-3-octyl-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK797032
SMILES CCCCCCCCN1C(=S)S/C(=C\c2cn(nc2c2ccc(cc2)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 C31H37N3O2S2 MW 547.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H37N3O2S2/c1-4-5-6-7-8-12-19-33-30(35)28(38-31(33)37)20-25-21-34(26-13-10-9-11-14-26)32-29(25)24-15-17-27(18-16-24)36-22-23(2)3/h9-11,13-18,20-21,23H,4-8,12,19,22H2,1-3H3/b28-20-InChIKey
XTSPSURYFWTHBR-RRAHZORUSA-NSynonyms
(5Z)5((3(4(2methylpropoxy)phenyl)1phenyl1Hpyrazol4yl)methylidene)3octyl2thioxo13thiazolidin4one
(5Z)5((3(4(2methylpropoxy)phenyl)1phenylpyrazol4yl)methylidene)3octyl2sulfanylidene13thiazolidin4one
CCCCCCCCN1C(=O)C(=CC2=CN(N=C2C3=CC=C(C=C3)OCC(C)C)C4=CC=CC=C4)SC1=S
CCCCCCCCN1C(=S)SC(=Cc2cn(nc2c2ccc(cc2)OCC(C)C)c2ccccc2)C1=O
InChI=1SC31H37N3O2S2c14567812193330(35)28(3831(33)37)20252134(2613109111426)3229(25)24151727(181624)362223(2)3h9111318202123H48121922H213H3b2820
MFCD03225816
ZINC000100837086
ZINC100837086
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