Vitas-M small molecule compound
(4E)-1-(6-ethoxy-1,3-benzothiazol-2-yl)-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-5-(4-methylphenyl)pyrrolidine-2,3-dione
Catalog ID
STL048712
SMILES CCOc1ccc2c(c1)sc(n2)N1C(c2ccc(cc2)C)/C(=C(/c2ccc3c(c2)CC(O3)C)\O)/C(=O)C1=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 C30H26N2O5S MW 526.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H26N2O5S/c1-4-36-21-10-11-22-24(15-21)38-30(31-22)32-26(18-7-5-16(2)6-8-18)25(28(34)29(32)35)27(33)19-9-12-23-20(14-19)13-17(3)37-23/h5-12,14-15,17,26,33H,4,13H2,1-3H3/b27-25+InChIKey
URQDIUNGHVBFOQ-IMVLJIQESA-NSynonyms
862244-25-5(4E)1(6ethoxy13benzothiazol2yl)4(hydroxy(2methyl23dihydro1benzofuran5yl)methylidene)5(4methylphenyl)pyrrolidine23dione
862244255
CCOC1=CC2=C(C=C1)N=C(S2)N3C(C(=C(C4=CC5=C(C=C4)OC(C5)C)O)C(=O)C3=O)C6=CC=C(C=C6)C
CCOc1ccc2c(c1)sc(n2)N1C(c2ccc(cc2)C)C(=C(c2ccc3c(c2)CC(O3)C)O)C(=O)C1=O
InChI=1SC30H26N2O5Sc14362110112224(1521)3830(3122)3226(187516(2)6818)25(28(34)29(32)35)27(33)199122320(1419)1317(3)3723h5121415172633H413H213H3b2725+
MFCD05738537
ZINC000102884402
ZINC000102884409
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