Vitas-M small molecule compound
(5Z)-5-{[3-(3-methyl-4-propoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-pentyl-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK706558
SMILES CCCCCN1C(=S)S/C(=C\c2cn(nc2c2ccc(c(c2)C)OCCC)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 C28H31N3O2S2 MW 505.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H31N3O2S2/c1-4-6-10-15-30-27(32)25(35-28(30)34)18-22-19-31(23-11-8-7-9-12-23)29-26(22)21-13-14-24(20(3)17-21)33-16-5-2/h7-9,11-14,17-19H,4-6,10,15-16H2,1-3H3/b25-18-InChIKey
RCNYSRDMHIKJPV-BWAHOGKJSA-NSynonyms
(5Z)5((3(3methyl4propoxyphenyl)1phenyl1Hpyrazol4yl)methylidene)3pentyl2thioxo13thiazolidin4one
(5Z)5((3(3methyl4propoxyphenyl)1phenylpyrazol4yl)methylidene)3pentyl2sulfanylidene13thiazolidin4one
(Z)5((3(3methyl4propoxyphenyl)1phenyl1Hpyrazol4yl)methylene)3pentyl2thioxothiazolidin4one
CCCCCN1C(=O)C(=CC2=CN(N=C2C3=CC(=C(C=C3)OCCC)C)C4=CC=CC=C4)SC1=S
CCCCCN1C(=S)SC(=Cc2cn(nc2c2ccc(c(c2)C)OCCC)c2ccccc2)C1=O
InChI=1SC28H31N3O2S2c14610153027(32)25(3528(30)34)18221931(23118791223)2926(22)21131424(20(3)1721)331652h7911141719H46101516H213H3b2518
MFCD02994997
ZINC000013809948
ZINC13809948
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