Vitas-M small molecule compound
4-(1-benzofuran-2-ylcarbonyl)-1-{5-[(4-fluorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-3-hydroxy-5-[3-methoxy-4-(pentyloxy)phenyl]-1,5-dihydro-2H-pyrrol-2-one
Catalog ID
STK800799
SMILES CCCCCOc1ccc(cc1OC)C1N(c2nnc(s2)SCc2ccc(cc2)F)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 C34H30FN3O6S2 MW 659.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H30FN3O6S2/c1-3-4-7-16-43-25-15-12-22(18-26(25)42-2)29-28(30(39)27-17-21-8-5-6-9-24(21)44-27)31(40)32(41)38(29)33-36-37-34(46-33)45-19-20-10-13-23(35)14-11-20/h5-6,8-15,17-18,29,40H,3-4,7,16,19H2,1-2H3InChIKey
YQSWMJVEXHMOSJ-UHFFFAOYSA-NSynonyms
3(1BENZOFURAN2CARBONYL)1(5((4FLUOROPHENYL)METHYLSULFANYL)134THIADIAZOL2YL)4HYDROXY2(3METHOXY4PENTOXYPHENYL)2HPYRROL5ONE
4(1benzofuran2ylcarbonyl)1(5((4fluorobenzyl)sulfanyl)134thiadiazol2yl)3hydroxy5(3methoxy4(pentyloxy)phenyl)15dihydro2Hpyrrol2one
CCCCCOC1=C(C=C(C=C1)C2C(=C(C(=O)N2C3=NN=C(S3)SCC4=CC=C(C=C4)F)O)C(=O)C5=CC6=CC=CC=C6O5)OC
InChI=1SC34H30FN3O6S2c1347164325151222(1826(25)422)2928(30(39)271721856924(21)4427)31(40)32(41)38(29)33363734(4633)451920101323(35)141120h5681517182940H3471619H212H3
MFCD06280074
ZINC000098046543
ZINC000098046544
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