Vitas-M small molecule compound
4-(1-benzofuran-2-ylcarbonyl)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-(4-ethoxy-3-methoxyphenyl)-3-hydroxy-1,5-dihydro-2H-pyrrol-2-one
Catalog ID
STK705409
SMILES CCOc1ccc(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 C31H26N2O6S MW 554.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H26N2O6S/c1-5-38-21-11-10-19(15-22(21)37-4)27-25(28(34)23-14-18-8-6-7-9-20(18)39-23)29(35)30(36)33(27)31-32-26-17(3)12-16(2)13-24(26)40-31/h6-15,27,35H,5H2,1-4H3InChIKey
YHRHIUTWRGBQNM-UHFFFAOYSA-NSynonyms
3(1BENZOFURAN2CARBONYL)1(46DIMETHYL13BENZOTHIAZOL2YL)2(4ETHOXY3METHOXYPHENYL)4HYDROXY2HPYRROL5ONE
4(1benzofuran2ylcarbonyl)1(46dimethyl13benzothiazol2yl)5(4ethoxy3methoxyphenyl)3hydroxy15dihydro2Hpyrrol2one
CCOC1=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=1SC31H26N2O6Sc153821111019(1522(21)374)2725(28(34)231418867920(18)3923)29(35)30(36)33(27)31322617(3)1216(2)1324(26)4031h6152735H5H214H3
MFCD04088589
ZINC000008441696
ZINC000008441697
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