Vitas-M small molecule compound
4-(1-benzofuran-2-ylcarbonyl)-1-[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-5-(3-ethoxy-4-hydroxyphenyl)-3-hydroxy-1,5-dihydro-2H-pyrrol-2-one
Catalog ID
STK800091
SMILES CCOc1cc(ccc1O)C1N(c2nnc(s2)SCc2ccccc2)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 C30H23N3O6S2 MW 585.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H23N3O6S2/c1-2-38-22-15-19(12-13-20(22)34)25-24(26(35)23-14-18-10-6-7-11-21(18)39-23)27(36)28(37)33(25)29-31-32-30(41-29)40-16-17-8-4-3-5-9-17/h3-15,25,34,36H,2,16H2,1H3InChIKey
CEWZOBCUOPCKPA-UHFFFAOYSA-NSynonyms
3(1BENZOFURAN2CARBONYL)1(5BENZYLSULFANYL134THIADIAZOL2YL)2(3ETHOXY4HYDROXYPHENYL)4HYDROXY2HPYRROL5ONE
4(1benzofuran2ylcarbonyl)1(5(benzylsulfanyl)134thiadiazol2yl)5(3ethoxy4hydroxyphenyl)3hydroxy15dihydro2Hpyrrol2one
CCOC1=C(C=CC(=C1)C2C(=C(C(=O)N2C3=NN=C(S3)SCC4=CC=CC=C4)O)C(=O)C5=CC6=CC=CC=C6O5)O
InChI=1SC30H23N3O6S2c1238221519(121320(22)34)2524(26(35)23141810671121(18)3923)27(36)28(37)33(25)29313230(4129)4016178435917h315253436H216H21H3
MFCD04147952
ZINC000008441228
ZINC000008441230
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