Vitas-M small molecule compound
4-(1-benzofuran-2-ylcarbonyl)-5-(4-butoxyphenyl)-1-{5-[(2-fluorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-3-hydroxy-1,5-dihydro-2H-pyrrol-2-one
Catalog ID
STK799579
SMILES CCCCOc1ccc(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 C32H26FN3O5S2 MW 615.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H26FN3O5S2/c1-2-3-16-40-22-14-12-19(13-15-22)27-26(28(37)25-17-20-8-5-7-11-24(20)41-25)29(38)30(39)36(27)31-34-35-32(43-31)42-18-21-9-4-6-10-23(21)33/h4-15,17,27,38H,2-3,16,18H2,1H3InChIKey
DLPCQUBJVZMJOC-UHFFFAOYSA-NSynonyms
3(1BENZOFURAN2CARBONYL)2(4BUTOXYPHENYL)1(5((2FLUOROPHENYL)METHYLSULFANYL)134THIADIAZOL2YL)4HYDROXY2HPYRROL5ONE
4(1benzofuran2ylcarbonyl)5(4butoxyphenyl)1(5((2fluorobenzyl)sulfanyl)134thiadiazol2yl)3hydroxy15dihydro2Hpyrrol2one
CCCCOC1=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=1SC32H26FN3O5S2c123164022141219(131522)2726(28(37)2517208571124(20)4125)29(38)30(39)36(27)31343532(4331)4218219461023(21)33h415172738H231618H21H3
MFCD04088630
ZINC000098046539
ZINC000098046540
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