Vitas-M small molecule compound
(5Z)-5-{[3-(3-chloro-4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-dodecyl-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK813665
SMILES CCCCCCCCCCCCN1C(=S)S/C(=C\c2cn(nc2c2ccc(c(c2)Cl)OC)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 C32H38ClN3O2S2 MW 596.26 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H38ClN3O2S2/c1-3-4-5-6-7-8-9-10-11-15-20-35-31(37)29(40-32(35)39)22-25-23-36(26-16-13-12-14-17-26)34-30(25)24-18-19-28(38-2)27(33)21-24/h12-14,16-19,21-23H,3-11,15,20H2,1-2H3/b29-22-InChIKey
MBHMKRITKQYVBT-IADYIPOJSA-NSynonyms
(5Z)5((3(3chloro4methoxyphenyl)1phenyl1Hpyrazol4yl)methylidene)3dodecyl2thioxo13thiazolidin4one
(5Z)5((3(3chloro4methoxyphenyl)1phenylpyrazol4yl)methylidene)3dodecyl2sulfanylidene13thiazolidin4one
5((3(3CHLORO4METHOXYPHENYL)1PHENYL1HPYRAZOL4YL)METHYLENE)3DODECYL2THIOXOTHIAZOLIDIN4ONE
CCCCCCCCCCCCN1C(=O)C(=CC2=CN(N=C2C3=CC(=C(C=C3)OC)Cl)C4=CC=CC=C4)SC1=S
CCCCCCCCCCCCN1C(=S)SC(=Cc2cn(nc2c2ccc(c(c2)Cl)OC)c2ccccc2)C1=O
InChI=1SC32H38ClN3O2S2c13456789101115203531(37)29(4032(35)39)22252336(26161312141726)3430(25)24181928(382)27(33)2124h121416192123H3111520H212H3b2922
MFCD04441714
ZINC000100871653
ZINC100871653
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