Vitas-M small molecule compound
(5Z)-5-({3-[4-(naphthalen-1-ylmethoxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-3-octyl-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK810801
SMILES CCCCCCCCN1C(=S)S/C(=C\c2cn(nc2c2ccc(cc2)OCc2cccc3c2cccc3)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 C38H37N3O2S2 MW 631.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C38H37N3O2S2/c1-2-3-4-5-6-12-24-40-37(42)35(45-38(40)44)25-31-26-41(32-17-8-7-9-18-32)39-36(31)29-20-22-33(23-21-29)43-27-30-16-13-15-28-14-10-11-19-34(28)30/h7-11,13-23,25-26H,2-6,12,24,27H2,1H3/b35-25-InChIKey
VFZSHOWJINWZIH-CKWSZQMZSA-NSynonyms
(5Z)5((3(4(naphthalen1ylmethoxy)phenyl)1phenyl1Hpyrazol4yl)methylidene)3octyl2thioxo13thiazolidin4one
(5Z)5((3(4(naphthalen1ylmethoxy)phenyl)1phenylpyrazol4yl)methylidene)3octyl2sulfanylidene13thiazolidin4one
CCCCCCCCN1C(=O)C(=CC2=CN(N=C2C3=CC=C(C=C3)OCC4=CC=CC5=CC=CC=C54)C6=CC=CC=C6)SC1=S
CCCCCCCCN1C(=S)SC(=Cc2cn(nc2c2ccc(cc2)OCc2cccc3c2cccc3)c2ccccc2)C1=O
InChI=1SC38H37N3O2S2c12345612244037(42)35(4538(40)44)25312641(32178791832)3936(31)29202233(232129)432730161315281410111934(28)30h71113232526H26122427H21H3b3525
MFCD03933036
ZINC000100840498
ZINC100840498
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