Vitas-M small molecule compound
(5Z)-5-{[3-(3-chloro-4-propoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-(3-ethoxypropyl)-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK816155
SMILES CCOCCCN1C(=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 C27H28ClN3O3S2 MW 542.12 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28ClN3O3S2/c1-3-14-34-23-12-11-19(16-22(23)28)25-20(18-31(29-25)21-9-6-5-7-10-21)17-24-26(32)30(27(35)36-24)13-8-15-33-4-2/h5-7,9-12,16-18H,3-4,8,13-15H2,1-2H3/b24-17-InChIKey
CWVLSVDWNUZRLB-ULJHMMPZSA-NSynonyms
(5Z)5((3(3chloro4propoxyphenyl)1phenyl1Hpyrazol4yl)methylidene)3(3ethoxypropyl)2thioxo13thiazolidin4one
(5Z)5((3(3CHLORO4PROPOXYPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)3(3ETHOXYPROPYL)2SULFANYLIDENE13THIAZOLIDIN4ONE
CCCOC1=C(C=C(C=C1)C2=NN(C=C2C=C3C(=O)N(C(=S)S3)CCCOCC)C4=CC=CC=C4)Cl
CCOCCCN1C(=S)SC(=Cc2cn(nc2c2ccc(c(c2)Cl)OCCC)c2ccccc2)C1=O
InChI=1SC27H28ClN3O3S2c13143423121119(1622(23)28)2520(1831(2925)2196571021)172426(32)30(27(35)3624)138153342h579121618H3481315H212H3b2417
MFCD06642693
ZINC000097946558
ZINC97946558
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