Vitas-M small molecule compound
(5Z)-5-{[3-(3-chloro-4-ethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-(3-ethoxypropyl)-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK815609
SMILES CCOCCCN1C(=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 C26H26ClN3O3S2 MW 528.10 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H26ClN3O3S2/c1-3-32-14-8-13-29-25(31)23(35-26(29)34)16-19-17-30(20-9-6-5-7-10-20)28-24(19)18-11-12-22(33-4-2)21(27)15-18/h5-7,9-12,15-17H,3-4,8,13-14H2,1-2H3/b23-16-InChIKey
BJEJQGRPCQSAQY-KQWNVCNZSA-NSynonyms
(5Z)5((3(3chloro4ethoxyphenyl)1phenyl1Hpyrazol4yl)methylidene)3(3ethoxypropyl)2thioxo13thiazolidin4one
(5Z)5((3(3chloro4ethoxyphenyl)1phenylpyrazol4yl)methylidene)3(3ethoxypropyl)2sulfanylidene13thiazolidin4one
CCOCCCN1C(=O)C(=CC2=CN(N=C2C3=CC(=C(C=C3)OCC)Cl)C4=CC=CC=C4)SC1=S
CCOCCCN1C(=S)SC(=Cc2cn(nc2c2ccc(c(c2)Cl)OCC)c2ccccc2)C1=O
InChI=1SC26H26ClN3O3S2c1332148132925(31)23(3526(29)34)16191730(2096571020)2824(19)18111222(3342)21(27)1518h579121517H3481314H212H3b2316
MFCD04442723
ZINC000097946521
ZINC97946521
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