Vitas-M small molecule compound
4-(1-benzofuran-2-ylcarbonyl)-5-(4-butoxyphenyl)-3-hydroxy-1-{5-[(naphthalen-1-ylmethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-1,5-dihydro-2H-pyrrol-2-one
Catalog ID
STK705243
SMILES CCCCOc1ccc(cc1)C1N(c2nnc(s2)SCc2cccc3c2cccc3)C(=O)C(=C1C(=O)c1cc2c(o1)cccc2)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 C36H29N3O5S2 MW 647.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H29N3O5S2/c1-2-3-19-43-26-17-15-23(16-18-26)31-30(32(40)29-20-24-10-5-7-14-28(24)44-29)33(41)34(42)39(31)35-37-38-36(46-35)45-21-25-12-8-11-22-9-4-6-13-27(22)25/h4-18,20,31,41H,2-3,19,21H2,1H3InChIKey
CZKCMKZKBLTHIF-UHFFFAOYSA-NSynonyms
3(1BENZOFURAN2CARBONYL)2(4BUTOXYPHENYL)4HYDROXY1(5(NAPHTHALEN1YLMETHYLSULFANYL)134THIADIAZOL2YL)2HPYRROL5ONE
4(1BENZOFURAN2YLCARBONYL)5(4BUTOXYPHENYL)3HYDROXY1(5((1NAPHTHYLMETHYL)SULFANYL)134THIADIAZOL2YL)15DIHYDRO2HPYRROL2ONE
4(1benzofuran2ylcarbonyl)5(4butoxyphenyl)3hydroxy1(5((naphthalen1ylmethyl)sulfanyl)134thiadiazol2yl)15dihydro2Hpyrrol2one
CCCCOC1=CC=C(C=C1)C2C(=C(C(=O)N2C3=NN=C(S3)SCC4=CC=CC5=CC=CC=C54)O)C(=O)C6=CC7=CC=CC=C7O6
InChI=1SC36H29N3O5S2c123194326171523(161826)3130(32(40)29202410571428(24)4429)33(41)34(42)39(31)35373836(4635)45212512811229461327(22)25h418203141H231921H21H3
MFCD04088616
ZINC000008441786
ZINC000008441788
Check stock
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Check stock on Vitas-MAvailable files
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