Vitas-M small molecule compound
4-(1-benzofuran-2-ylcarbonyl)-5-(4-ethoxy-3-methoxyphenyl)-3-hydroxy-1-{5-[(4-methylbenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-1,5-dihydro-2H-pyrrol-2-one
Catalog ID
STK800563
SMILES CCOc1ccc(cc1OC)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 C32H27N3O6S2 MW 613.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H27N3O6S2/c1-4-40-23-14-13-21(16-24(23)39-3)27-26(28(36)25-15-20-7-5-6-8-22(20)41-25)29(37)30(38)35(27)31-33-34-32(43-31)42-17-19-11-9-18(2)10-12-19/h5-16,27,37H,4,17H2,1-3H3InChIKey
UHVIPJQSBSXYHU-UHFFFAOYSA-NSynonyms
3(1BENZOFURAN2CARBONYL)2(4ETHOXY3METHOXYPHENYL)4HYDROXY1(5((4METHYLPHENYL)METHYLSULFANYL)134THIADIAZOL2YL)2HPYRROL5ONE
4(1benzofuran2ylcarbonyl)5(4ethoxy3methoxyphenyl)3hydroxy1(5((4methylbenzyl)sulfanyl)134thiadiazol2yl)15dihydro2Hpyrrol2one
CCOC1=C(C=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)OC
InChI=1SC32H27N3O6S2c144023141321(1624(23)393)2726(28(36)251520756822(20)4125)29(37)30(38)35(27)31333432(4331)42171911918(2)101219h5162737H417H213H3
MFCD04148017
ZINC000008383970
ZINC000008383973
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