Vitas-M small molecule compound
4-(1-benzofuran-2-ylcarbonyl)-1-{5-[(4-fluorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-3-hydroxy-5-(3-hydroxyphenyl)-1,5-dihydro-2H-pyrrol-2-one
Catalog ID
STK800798
SMILES Oc1cccc(c1)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 C28H18FN3O5S2 MW 559.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H18FN3O5S2/c29-18-10-8-15(9-11-18)14-38-28-31-30-27(39-28)32-23(17-5-3-6-19(33)12-17)22(25(35)26(32)36)24(34)21-13-16-4-1-2-7-20(16)37-21/h1-13,23,33,35H,14H2InChIKey
UPNAIHXJKPBLJG-UHFFFAOYSA-NSynonyms
3(1BENZOFURAN2CARBONYL)1(5((4FLUOROPHENYL)METHYLSULFANYL)134THIADIAZOL2YL)4HYDROXY2(3HYDROXYPHENYL)2HPYRROL5ONE
4(1benzofuran2ylcarbonyl)1(5((4fluorobenzyl)sulfanyl)134thiadiazol2yl)3hydroxy5(3hydroxyphenyl)15dihydro2Hpyrrol2one
C1=CC=C2C(=C1)C=C(O2)C(=O)C3=C(C(=O)N(C3C4=CC(=CC=C4)O)C5=NN=C(S5)SCC6=CC=C(C=C6)F)O
InChI=1SC28H18FN3O5S2c291810815(91118)143828313027(3928)3223(1753619(33)1217)22(25(35)26(32)36)24(34)211316412720(16)3721h113233335H14H2
MFCD04147996
ZINC000008383374
ZINC000008383378
ZINC08383378
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