Vitas-M small molecule compound
ethyl 2-{(3E)-2-(3-butoxyphenyl)-3-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-4,5-dioxopyrrolidin-1-yl}-4-methyl-1,3-thiazole-5-carboxylate
Catalog ID
STL048569
SMILES CCCCOc1cccc(c1)C1/C(=C(/c2ccc3c(c2)CC(O3)C)\O)/C(=O)C(=O)N1c1sc(c(n1)C)C(=O)OCC
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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 C31H32N2O7S MW 576.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H32N2O7S/c1-5-7-13-39-22-10-8-9-19(16-22)25-24(26(34)20-11-12-23-21(15-20)14-17(3)40-23)27(35)29(36)33(25)31-32-18(4)28(41-31)30(37)38-6-2/h8-12,15-17,25,34H,5-7,13-14H2,1-4H3/b26-24+InChIKey
RVAABEGGFIOPMS-SHHOIMCASA-NSynonyms
893697-92-2893697922
CCCCOC1=CC=CC(=C1)C2C(=C(C3=CC4=C(C=C3)OC(C4)C)O)C(=O)C(=O)N2C5=NC(=C(S5)C(=O)OCC)C
CCCCOc1cccc(c1)C1C(=C(c2ccc3c(c2)CC(O3)C)O)C(=O)C(=O)N1c1sc(c(n1)C)C(=O)OCC
ethyl2((3E)2(3butoxyphenyl)3(hydroxy(2methyl23dihydro1benzofuran5yl)methylidene)45dioxopyrrolidin1yl)4methyl13thiazole5carboxylate
InChI=1SC31H32N2O7Sc157133922108919(1622)2524(26(34)2011122321(1520)1417(3)4023)27(35)29(36)33(25)313218(4)28(4131)30(37)3862h81215172534H571314H214H3b2624+
MFCD05736663
ZINC000102884694
ZINC000102884699
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