Vitas-M small molecule compound
(5Z)-3-(3-ethoxypropyl)-5-{[3-(2-methyl-4-propoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK799163
SMILES CCOCCCN1C(=S)S/C(=C\c2cn(nc2c2ccc(cc2C)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 C28H31N3O3S2 MW 521.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H31N3O3S2/c1-4-15-34-23-12-13-24(20(3)17-23)26-21(19-31(29-26)22-10-7-6-8-11-22)18-25-27(32)30(28(35)36-25)14-9-16-33-5-2/h6-8,10-13,17-19H,4-5,9,14-16H2,1-3H3/b25-18-InChIKey
KVJKNAFRQWVSHP-BWAHOGKJSA-NSynonyms
(5Z)3(3ethoxypropyl)5((3(2methyl4propoxyphenyl)1phenyl1Hpyrazol4yl)methylidene)2thioxo13thiazolidin4one
(5Z)3(3ETHOXYPROPYL)5((3(2METHYL4PROPOXYPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN4ONE
CCCOC1=CC(=C(C=C1)C2=NN(C=C2C=C3C(=O)N(C(=S)S3)CCCOCC)C4=CC=CC=C4)C
CCOCCCN1C(=S)SC(=Cc2cn(nc2c2ccc(cc2C)OCCC)c2ccccc2)C1=O
InChI=1SC28H31N3O3S2c14153423121324(20(3)1723)2621(1931(2926)22107681122)182527(32)30(28(35)3625)149163352h6810131719H4591416H213H3b2518
MFCD03418444
ZINC000016700745
ZINC16700745
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