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-hydroxy-3-methoxyphenyl)-1,5-dihydro-2H-pyrrol-2-one
Catalog ID
STK800559
SMILES COc1cc(ccc1O)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 C29H20ClN3O6S2 MW 606.08 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H20ClN3O6S2/c1-38-21-13-16(10-11-19(21)34)24-23(25(35)22-12-15-6-3-5-9-20(15)39-22)26(36)27(37)33(24)28-31-32-29(41-28)40-14-17-7-2-4-8-18(17)30/h2-13,24,34,36H,14H2,1H3InChIKey
QWFKBEYTFLQWEP-UHFFFAOYSA-NSynonyms
3(1BENZOFURAN2CARBONYL)1(5((2CHLOROPHENYL)METHYLSULFANYL)134THIADIAZOL2YL)4HYDROXY2(4HYDROXY3METHOXYPHENYL)2HPYRROL5ONE
4(1benzofuran2ylcarbonyl)1(5((2chlorobenzyl)sulfanyl)134thiadiazol2yl)3hydroxy5(4hydroxy3methoxyphenyl)15dihydro2Hpyrrol2one
COC1=C(C=CC(=C1)C2C(=C(C(=O)N2C3=NN=C(S3)SCC4=CC=CC=C4Cl)O)C(=O)C5=CC6=CC=CC=C6O5)O
InChI=1SC29H20ClN3O6S2c138211316(101119(21)34)2423(25(35)221215635920(15)3922)26(36)27(37)33(24)28313229(4128)401417724818(17)30h213243436H14H21H3
MFCD04148030
ZINC000008384060
ZINC000008384064
ZINC08384060
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