Vitas-M small molecule compound
4-(1-benzofuran-2-ylcarbonyl)-1-[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-3-hydroxy-5-(4-hydroxyphenyl)-1,5-dihydro-2H-pyrrol-2-one
Catalog ID
STK799894
SMILES Oc1ccc(cc1)C1N(c2nnc(s2)SCc2ccccc2)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 C28H19N3O5S2 MW 541.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H19N3O5S2/c32-19-12-10-17(11-13-19)23-22(24(33)21-14-18-8-4-5-9-20(18)36-21)25(34)26(35)31(23)27-29-30-28(38-27)37-15-16-6-2-1-3-7-16/h1-14,23,32,34H,15H2InChIKey
CRPJMSWAZJSHFV-UHFFFAOYSA-NSynonyms
3(1BENZOFURAN2CARBONYL)1(5BENZYLSULFANYL134THIADIAZOL2YL)4HYDROXY2(4HYDROXYPHENYL)2HPYRROL5ONE
4(1benzofuran2ylcarbonyl)1(5(benzylsulfanyl)134thiadiazol2yl)3hydroxy5(4hydroxyphenyl)15dihydro2Hpyrrol2one
C1=CC=C(C=C1)CSC2=NN=C(S2)N3C(C(=C(C3=O)O)C(=O)C4=CC5=CC=CC=C5O4)C6=CC=C(C=C6)O
InChI=1SC28H19N3O5S2c3219121017(111319)2322(24(33)211418845920(18)3621)25(34)26(35)31(23)27293028(3827)3715166213716h114233234H15H2
MFCD04147949
ZINC000008441216
ZINC000008441218
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