Vitas-M small molecule compound
4-(1-benzofuran-2-ylcarbonyl)-5-(4-butoxy-3-methoxyphenyl)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-hydroxy-1,5-dihydro-2H-pyrrol-2-one
Catalog ID
STK705413
SMILES CCCCOc1ccc(cc1OC)C1N(c2sc3c(n2)c(C)cc(c3)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 C33H30N2O6S MW 582.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H30N2O6S/c1-5-6-13-40-23-12-11-21(17-24(23)39-4)29-27(30(36)25-16-20-9-7-8-10-22(20)41-25)31(37)32(38)35(29)33-34-28-19(3)14-18(2)15-26(28)42-33/h7-12,14-17,29,37H,5-6,13H2,1-4H3InChIKey
JXTGXXXREJJVRE-UHFFFAOYSA-NSynonyms
3(1BENZOFURAN2CARBONYL)2(4BUTOXY3METHOXYPHENYL)1(46DIMETHYL13BENZOTHIAZOL2YL)4HYDROXY2HPYRROL5ONE
4(1benzofuran2ylcarbonyl)5(4butoxy3methoxyphenyl)1(46dimethyl13benzothiazol2yl)3hydroxy15dihydro2Hpyrrol2one
CCCCOC1=C(C=C(C=C1)C2C(=C(C(=O)N2C3=NC4=C(C=C(C=C4S3)C)C)O)C(=O)C5=CC6=CC=CC=C6O5)OC
InChI=1SC33H30N2O6Sc156134023121121(1724(23)394)2927(30(36)2516209781022(20)4125)31(37)32(38)35(29)33342819(3)1418(2)1526(28)4233h71214172937H5613H214H3
MFCD04088597
ZINC000008441718
ZINC000008441720
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