Vitas-M small molecule compound
4-(1-benzofuran-2-ylcarbonyl)-1-{5-[(4-fluorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-3-hydroxy-5-(4-methoxyphenyl)-1,5-dihydro-2H-pyrrol-2-one
Catalog ID
STK800805
SMILES COc1ccc(cc1)C1N(c2nnc(s2)SCc2ccc(cc2)F)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 C29H20FN3O5S2 MW 573.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H20FN3O5S2/c1-37-20-12-8-17(9-13-20)24-23(25(34)22-14-18-4-2-3-5-21(18)38-22)26(35)27(36)33(24)28-31-32-29(40-28)39-15-16-6-10-19(30)11-7-16/h2-14,24,35H,15H2,1H3InChIKey
QTLGTGSBKANYPH-UHFFFAOYSA-NSynonyms
3(1BENZOFURAN2CARBONYL)1(5((4FLUOROPHENYL)METHYLSULFANYL)134THIADIAZOL2YL)4HYDROXY2(4METHOXYPHENYL)2HPYRROL5ONE
4(1benzofuran2ylcarbonyl)1(5((4fluorobenzyl)sulfanyl)134thiadiazol2yl)3hydroxy5(4methoxyphenyl)15dihydro2Hpyrrol2one
COC1=CC=C(C=C1)C2C(=C(C(=O)N2C3=NN=C(S3)SCC4=CC=C(C=C4)F)O)C(=O)C5=CC6=CC=CC=C6O5
InChI=1SC29H20FN3O5S2c1372012817(91320)2423(25(34)221418423521(18)3822)26(35)27(36)33(24)28313229(4028)39151661019(30)11716h2142435H15H21H3
MFCD04147995
ZINC000008383364
ZINC000008383371
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