Vitas-M small molecule compound
(5Z)-5-{[3-(3-chloro-4-ethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-hexyl-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK703821
SMILES CCCCCCN1C(=S)S/C(=C\c2cn(nc2c2ccc(c(c2)Cl)OCC)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 C27H28ClN3O2S2 MW 526.12 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28ClN3O2S2/c1-3-5-6-10-15-30-26(32)24(35-27(30)34)17-20-18-31(21-11-8-7-9-12-21)29-25(20)19-13-14-23(33-4-2)22(28)16-19/h7-9,11-14,16-18H,3-6,10,15H2,1-2H3/b24-17-InChIKey
LIEOETXYDHOKID-ULJHMMPZSA-NSynonyms
956773-71-0(5Z)5((3(3chloro4ethoxyphenyl)1phenyl1Hpyrazol4yl)methylidene)3hexyl2thioxo13thiazolidin4one
(5Z)5((3(3chloro4ethoxyphenyl)1phenylpyrazol4yl)methylidene)3hexyl2sulfanylidene13thiazolidin4one
(Z)5((3(3chloro4ethoxyphenyl)1phenyl1Hpyrazol4yl)methylene)3hexyl2thioxothiazolidin4one
956773710
CCCCCCN1C(=O)C(=CC2=CN(N=C2C3=CC(=C(C=C3)OCC)Cl)C4=CC=CC=C4)SC1=S
CCCCCCN1C(=S)SC(=Cc2cn(nc2c2ccc(c(c2)Cl)OCC)c2ccccc2)C1=O
InChI=1SC27H28ClN3O2S2c135610153026(32)24(3527(30)34)17201831(21118791221)2925(20)19131423(3342)22(28)1619h7911141618H361015H212H3b2417
MFCD04005190
ZINC000009462146
ZINC09462146
ZINC9462146
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