Vitas-M small molecule compound
4-(1-benzofuran-2-ylcarbonyl)-5-(3-ethoxy-4-hydroxyphenyl)-3-hydroxy-1-(6-methyl-1,3-benzothiazol-2-yl)-1,5-dihydro-2H-pyrrol-2-one
Catalog ID
STK799551
SMILES CCOc1cc(ccc1O)C1N(c2nc3c(s2)cc(cc3)C)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 C29H22N2O6S MW 526.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H22N2O6S/c1-3-36-21-14-17(9-11-19(21)32)25-24(26(33)22-13-16-6-4-5-7-20(16)37-22)27(34)28(35)31(25)29-30-18-10-8-15(2)12-23(18)38-29/h4-14,25,32,34H,3H2,1-2H3InChIKey
CYYFCIWNGWOESQ-UHFFFAOYSA-NSynonyms
3(1BENZOFURAN2CARBONYL)2(3ETHOXY4HYDROXYPHENYL)4HYDROXY1(6METHYL13BENZOTHIAZOL2YL)2HPYRROL5ONE
4(1benzofuran2ylcarbonyl)5(3ethoxy4hydroxyphenyl)3hydroxy1(6methyl13benzothiazol2yl)15dihydro2Hpyrrol2one
CCOC1=C(C=CC(=C1)C2C(=C(C(=O)N2C3=NC4=C(S3)C=C(C=C4)C)O)C(=O)C5=CC6=CC=CC=C6O5)O
InChI=1SC29H22N2O6Sc1336211417(91119(21)32)2524(26(33)221316645720(16)3722)27(34)28(35)31(25)29301810815(2)1223(18)3829h414253234H3H212H3
MFCD04088579
ZINC000000703114
ZINC000000703115
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