Vitas-M small molecule compound
(5Z)-5-({3-[4-(benzyloxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-3-pentyl-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK798510
SMILES CCCCCN1C(=S)S/C(=C\c2cn(nc2c2ccc(cc2)OCc2ccccc2)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 C31H29N3O2S2 MW 539.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H29N3O2S2/c1-2-3-10-19-33-30(35)28(38-31(33)37)20-25-21-34(26-13-8-5-9-14-26)32-29(25)24-15-17-27(18-16-24)36-22-23-11-6-4-7-12-23/h4-9,11-18,20-21H,2-3,10,19,22H2,1H3/b28-20-InChIKey
KPFLBHKHJUSFBJ-RRAHZORUSA-NSynonyms
(5Z)3PENTYL5((1PHENYL3(4PHENYLMETHOXYPHENYL)PYRAZOL4YL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN4ONE
(5Z)5((3(4(benzyloxy)phenyl)1phenyl1Hpyrazol4yl)methylidene)3pentyl2thioxo13thiazolidin4one
CCCCCN1C(=O)C(=CC2=CN(N=C2C3=CC=C(C=C3)OCC4=CC=CC=C4)C5=CC=CC=C5)SC1=S
CCCCCN1C(=S)SC(=Cc2cn(nc2c2ccc(cc2)OCc2ccccc2)c2ccccc2)C1=O
InChI=1SC31H29N3O2S2c12310193330(35)28(3831(33)37)20252134(26138591426)3229(25)24151727(181624)362223116471223h4911182021H23101922H21H3b2820
MFCD03417714
ZINC000100838904
ZINC100838904
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