Vitas-M small molecule compound
4-(1-benzofuran-2-ylcarbonyl)-1-[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-5-(2-fluorophenyl)-3-hydroxy-1,5-dihydro-2H-pyrrol-2-one
Catalog ID
STK800814
SMILES O=C1C(=C(C(N1c1nnc(s1)SCc1ccccc1)c1ccccc1F)C(=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 C28H18FN3O4S2 MW 543.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H18FN3O4S2/c29-19-12-6-5-11-18(19)23-22(24(33)21-14-17-10-4-7-13-20(17)36-21)25(34)26(35)32(23)27-30-31-28(38-27)37-15-16-8-2-1-3-9-16/h1-14,23,34H,15H2InChIKey
XEOVDIIBNWMQMX-UHFFFAOYSA-NSynonyms
3(1BENZOFURAN2CARBONYL)1(5BENZYLSULFANYL134THIADIAZOL2YL)2(2FLUOROPHENYL)4HYDROXY2HPYRROL5ONE
4(1benzofuran2ylcarbonyl)1(5(benzylsulfanyl)134thiadiazol2yl)5(2fluorophenyl)3hydroxy15dihydro2Hpyrrol2one
C1=CC=C(C=C1)CSC2=NN=C(S2)N3C(C(=C(C3=O)O)C(=O)C4=CC5=CC=CC=C5O4)C6=CC=CC=C6F
InChI=1SC28H18FN3O4S2c291912651118(19)2322(24(33)21141710471320(17)3621)25(34)26(35)32(23)27303128(3827)3715168213916h1142334H15H2
MFCD04147958
ZINC000008441265
ZINC000008441270
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