Vitas-M small molecule compound
4-(1-benzofuran-2-ylcarbonyl)-1-[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-3-hydroxy-5-[4-(prop-2-en-1-yloxy)phenyl]-1,5-dihydro-2H-pyrrol-2-one
Catalog ID
STK799585
SMILES C=CCOc1ccc(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 C31H23N3O5S2 MW 581.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H23N3O5S2/c1-2-16-38-22-14-12-20(13-15-22)26-25(27(35)24-17-21-10-6-7-11-23(21)39-24)28(36)29(37)34(26)30-32-33-31(41-30)40-18-19-8-4-3-5-9-19/h2-15,17,26,36H,1,16,18H2InChIKey
ORCUAOFUEWDEEQ-UHFFFAOYSA-NSynonyms
3(1BENZOFURAN2CARBONYL)1(5BENZYLSULFANYL134THIADIAZOL2YL)4HYDROXY2(4PROP2ENOXYPHENYL)2HPYRROL5ONE
4(1benzofuran2ylcarbonyl)1(5(benzylsulfanyl)134thiadiazol2yl)3hydroxy5(4(prop2en1yloxy)phenyl)15dihydro2Hpyrrol2one
5(4(ALLYLOXY)PHENYL)4(1BENZOFURAN2YLCARBONYL)1(5(BENZYLSULFANYL)134THIADIAZOL2YL)3HYDROXY15DIHYDRO2HPYRROL2ONE
C=CCOC1=CC=C(C=C1)C2C(=C(C(=O)N2C3=NN=C(S3)SCC4=CC=CC=C4)O)C(=O)C5=CC6=CC=CC=C6O5
InChI=1SC31H23N3O5S2c12163822141220(131522)2625(27(35)24172110671123(21)3924)28(36)29(37)34(26)30323331(4130)4018198435919h215172636H11618H2
MFCD04088540
ZINC000008441244
ZINC000008441247
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