Vitas-M small molecule compound

4-(1-benzofuran-2-ylcarbonyl)-3-hydroxy-1-{5-[(naphthalen-1-ylmethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-5-[4-(propan-2-yl)phenyl]-1,5-dihydro-2H-pyrrol-2-one

Catalog ID
STK704702
SMILES O=C1C(=C(C(N1c1nnc(s1)SCc1cccc2c1cccc2)c1ccc(cc1)C(C)C)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 C35H27N3O4S2 MW 617.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H27N3O4S2/c1-20(2)21-14-16-23(17-15-21)30-29(31(39)28-18-24-9-4-6-13-27(24)42-28)32(40)33(41)38(30)34-36-37-35(44-34)43-19-25-11-7-10-22-8-3-5-12-26(22)25/h3-18,20,30,40H,19H2,1-2H3
InChIKey
FRORCDZKYOITND-UHFFFAOYSA-N
Synonyms

3(1BENZOFURAN2CARBONYL)4HYDROXY1(5(NAPHTHALEN1YLMETHYLSULFANYL)134THIADIAZOL2YL)2(4PROPAN2YLPHENYL)2HPYRROL5ONE
4(1benzofuran2ylcarbonyl)3hydroxy1(5((naphthalen1ylmethyl)sulfanyl)134thiadiazol2yl)5(4(propan2yl)phenyl)15dihydro2Hpyrrol2one
4(1BENZOFURAN2YLCARBONYL)3HYDROXY5(4ISOPROPYLPHENYL)1(5((1NAPHTHYLMETHYL)SULFANYL)134THIADIAZOL2YL)15DIHYDRO2HPYRROL2ONE
CC(C)C1=CC=C(C=C1)C2C(=C(C(=O)N2C3=NN=C(S3)SCC4=CC=CC5=CC=CC=C54)O)C(=O)C6=CC7=CC=CC=C7O6
InChI=1SC35H27N3O4S2c120(2)21141623(171521)3029(31(39)2818249461327(24)4228)32(40)33(41)38(30)34363735(4434)43192511710228351226(22)25h318203040H19H212H3
MFCD04088618
ZINC000008441793
ZINC000008441794

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.