Vitas-M small molecule compound

4-(1-benzofuran-2-ylcarbonyl)-1-{5-[(2-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-3-hydroxy-5-[4-(prop-2-en-1-yloxy)phenyl]-1,5-dihydro-2H-pyrrol-2-one

Catalog ID
STK800558
SMILES C=CCOc1ccc(cc1)C1N(c2nnc(s2)SCc2ccccc2Cl)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 C31H22ClN3O5S2 MW 616.12 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H22ClN3O5S2/c1-2-15-39-21-13-11-18(12-14-21)26-25(27(36)24-16-19-7-4-6-10-23(19)40-24)28(37)29(38)35(26)30-33-34-31(42-30)41-17-20-8-3-5-9-22(20)32/h2-14,16,26,37H,1,15,17H2
InChIKey
CAYMKLVWFMEVCS-UHFFFAOYSA-N
Synonyms

3(1BENZOFURAN2CARBONYL)1(5((2CHLOROPHENYL)METHYLSULFANYL)134THIADIAZOL2YL)4HYDROXY2(4PROP2ENOXYPHENYL)2HPYRROL5ONE
4(1benzofuran2ylcarbonyl)1(5((2chlorobenzyl)sulfanyl)134thiadiazol2yl)3hydroxy5(4(prop2en1yloxy)phenyl)15dihydro2Hpyrrol2one
C=CCOC1=CC=C(C=C1)C2C(=C(C(=O)N2C3=NN=C(S3)SCC4=CC=CC=C4Cl)O)C(=O)C5=CC6=CC=CC=C6O5
InChI=1SC31H22ClN3O5S2c12153921131118(121421)2625(27(36)2416197461023(19)4024)28(37)29(38)35(26)30333431(4230)411720835922(20)32h214162637H11517H2
MFCD06279981
ZINC000098046529
ZINC000098046530

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Available files

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