Vitas-M small molecule compound
(5Z)-5-{[3-(3-chloro-4-propoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-dodecyl-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK816172
SMILES CCCCCCCCCCCCN1C(=S)S/C(=C\c2cn(nc2c2ccc(c(c2)Cl)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 C34H42ClN3O2S2 MW 624.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H42ClN3O2S2/c1-3-5-6-7-8-9-10-11-12-16-21-37-33(39)31(42-34(37)41)24-27-25-38(28-17-14-13-15-18-28)36-32(27)26-19-20-30(29(35)23-26)40-22-4-2/h13-15,17-20,23-25H,3-12,16,21-22H2,1-2H3/b31-24-InChIKey
SBVNPSXLPUPIIL-QLTSDVKISA-NSynonyms
(5Z)5((3(3chloro4propoxyphenyl)1phenyl1Hpyrazol4yl)methylidene)3dodecyl2thioxo13thiazolidin4one
(5Z)5((3(3chloro4propoxyphenyl)1phenylpyrazol4yl)methylidene)3dodecyl2sulfanylidene13thiazolidin4one
CCCCCCCCCCCCN1C(=O)C(=CC2=CN(N=C2C3=CC(=C(C=C3)OCCC)Cl)C4=CC=CC=C4)SC1=S
CCCCCCCCCCCCN1C(=S)SC(=Cc2cn(nc2c2ccc(c(c2)Cl)OCCC)c2ccccc2)C1=O
InChI=1SC34H42ClN3O2S2c135678910111216213733(39)31(4234(37)41)24272538(28171413151828)3632(27)26192030(29(35)2326)402242h131517202325H312162122H212H3b3124
MFCD04489468
ZINC000097946564
ZINC97946564
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