Vitas-M small molecule compound
4-(1-benzofuran-2-ylcarbonyl)-5-(4-ethylphenyl)-3-hydroxy-1-{5-[(4-methylbenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-1,5-dihydro-2H-pyrrol-2-one
Catalog ID
STK800522
SMILES CCc1ccc(cc1)C1N(c2nnc(s2)SCc2ccc(cc2)C)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 C31H25N3O4S2 MW 567.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H25N3O4S2/c1-3-19-12-14-21(15-13-19)26-25(27(35)24-16-22-6-4-5-7-23(22)38-24)28(36)29(37)34(26)30-32-33-31(40-30)39-17-20-10-8-18(2)9-11-20/h4-16,26,36H,3,17H2,1-2H3InChIKey
FEEMLBZFVLLGMN-UHFFFAOYSA-NSynonyms
3(1BENZOFURAN2CARBONYL)2(4ETHYLPHENYL)4HYDROXY1(5((4METHYLPHENYL)METHYLSULFANYL)134THIADIAZOL2YL)2HPYRROL5ONE
4(1benzofuran2ylcarbonyl)5(4ethylphenyl)3hydroxy1(5((4methylbenzyl)sulfanyl)134thiadiazol2yl)15dihydro2Hpyrrol2one
CCC1=CC=C(C=C1)C2C(=C(C(=O)N2C3=NN=C(S3)SCC4=CC=C(C=C4)C)O)C(=O)C5=CC6=CC=CC=C6O5
InChI=1SC31H25N3O4S2c1319121421(151319)2625(27(35)241622645723(22)3824)28(36)29(37)34(26)30323331(4030)39172010818(2)91120h4162636H317H212H3
MFCD04148019
ZINC000008383984
ZINC000008383986
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