Vitas-M small molecule compound
methyl 4-{(3E)-1-(6-ethoxy-1,3-benzothiazol-2-yl)-3-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-4,5-dioxopyrrolidin-2-yl}benzoate
Catalog ID
STL050261
SMILES CCOc1ccc2c(c1)sc(n2)N1C(c2ccc(cc2)C(=O)OC)/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 C31H26N2O7S MW 570.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H26N2O7S/c1-4-39-21-10-11-22-24(15-21)41-31(32-22)33-26(17-5-7-18(8-6-17)30(37)38-3)25(28(35)29(33)36)27(34)19-9-12-23-20(14-19)13-16(2)40-23/h5-12,14-16,26,34H,4,13H2,1-3H3/b27-25+InChIKey
LVUDUIBMLLOXQG-IMVLJIQESA-NSynonyms
893697-08-0893697080
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(=O)OC
CCOc1ccc2c(c1)sc(n2)N1C(c2ccc(cc2)C(=O)OC)C(=C(c2ccc3c(c2)CC(O3)C)O)C(=O)C1=O
InChI=1SC31H26N2O7Sc14392110112224(1521)4131(3222)3326(175718(8617)30(37)383)25(28(35)29(33)36)27(34)199122320(1419)1316(2)4023h51214162634H413H213H3b2725+
methyl4((3E)1(6ethoxy13benzothiazol2yl)3(hydroxy(2methyl23dihydro1benzofuran5yl)methylidene)45dioxopyrrolidin2yl)benzoate
MFCD05729790
ZINC000102886338
ZINC000102886344
Check stock
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