Vitas-M small molecule compound
4-(1-benzofuran-2-ylcarbonyl)-5-[4-(benzyloxy)phenyl]-1-[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-3-hydroxy-1,5-dihydro-2H-pyrrol-2-one
Catalog ID
STK799887
SMILES O=C1C(=C(C(N1c1nnc(s1)SCc1ccccc1)c1ccc(cc1)OCc1ccccc1)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 C35H25N3O5S2 MW 631.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H25N3O5S2/c39-31(28-19-25-13-7-8-14-27(25)43-28)29-30(24-15-17-26(18-16-24)42-20-22-9-3-1-4-10-22)38(33(41)32(29)40)34-36-37-35(45-34)44-21-23-11-5-2-6-12-23/h1-19,30,40H,20-21H2InChIKey
SEPHFPFVQVPFNV-UHFFFAOYSA-NSynonyms
3(1BENZOFURAN2CARBONYL)1(5BENZYLSULFANYL134THIADIAZOL2YL)4HYDROXY2(4PHENYLMETHOXYPHENYL)2HPYRROL5ONE
4(1benzofuran2ylcarbonyl)5(4(benzyloxy)phenyl)1(5(benzylsulfanyl)134thiadiazol2yl)3hydroxy15dihydro2Hpyrrol2one
C1=CC=C(C=C1)COC2=CC=C(C=C2)C3C(=C(C(=O)N3C4=NN=C(S4)SCC5=CC=CC=C5)O)C(=O)C6=CC7=CC=CC=C7O6
InChI=1SC35H25N3O5S2c3931(28192513781427(25)4328)2930(24151726(181624)42202293141022)38(33(41)32(29)40)34363735(4534)442123115261223h1193040H2021H2
MFCD04147955
ZINC000008441248
ZINC000008441251
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