Vitas-M small molecule compound
4-(1-benzofuran-2-ylcarbonyl)-1-{5-[(2-fluorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-3-hydroxy-5-[4-(pentyloxy)phenyl]-1,5-dihydro-2H-pyrrol-2-one
Catalog ID
STK800556
SMILES CCCCCOc1ccc(cc1)C1N(c2nnc(s2)SCc2ccccc2F)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 C33H28FN3O5S2 MW 629.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H28FN3O5S2/c1-2-3-8-17-41-23-15-13-20(14-16-23)28-27(29(38)26-18-21-9-5-7-12-25(21)42-26)30(39)31(40)37(28)32-35-36-33(44-32)43-19-22-10-4-6-11-24(22)34/h4-7,9-16,18,28,39H,2-3,8,17,19H2,1H3InChIKey
XFDYLVMHYNYJAK-UHFFFAOYSA-NSynonyms
3(1BENZOFURAN2CARBONYL)1(5((2FLUOROPHENYL)METHYLSULFANYL)134THIADIAZOL2YL)4HYDROXY2(4PENTOXYPHENYL)2HPYRROL5ONE
4(1benzofuran2ylcarbonyl)1(5((2fluorobenzyl)sulfanyl)134thiadiazol2yl)3hydroxy5(4(pentyloxy)phenyl)15dihydro2Hpyrrol2one
CCCCCOC1=CC=C(C=C1)C2C(=C(C(=O)N2C3=NN=C(S3)SCC4=CC=CC=C4F)O)C(=O)C5=CC6=CC=CC=C6O5
InChI=1SC33H28FN3O5S2c1238174123151320(141623)2827(29(38)2618219571225(21)4226)30(39)31(40)37(28)32353633(4432)43192210461124(22)34h47916182839H2381719H21H3
MFCD04148005
ZINC000008383476
ZINC000008383479
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