Vitas-M small molecule compound
(4E)-1-benzyl-5-(4-butoxy-3-ethoxyphenyl)-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]pyrrolidine-2,3-dione
Catalog ID
STL038786
SMILES CCCCOc1ccc(cc1OCC)C1/C(=C(/c2ccc3c(c2)CC(O3)C)\O)/C(=O)C(=O)N1Cc1ccccc1
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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 C33H35NO6 MW 541.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H35NO6/c1-4-6-16-39-27-15-12-23(19-28(27)38-5-2)30-29(31(35)24-13-14-26-25(18-24)17-21(3)40-26)32(36)33(37)34(30)20-22-10-8-7-9-11-22/h7-15,18-19,21,30,35H,4-6,16-17,20H2,1-3H3/b31-29+InChIKey
DOYAWPOMTUOPHU-OWWNRXNESA-NSynonyms
846027-09-6(4E)1benzyl5(4butoxy3ethoxyphenyl)4(hydroxy(2methyl23dihydro1benzofuran5yl)methylidene)pyrrolidine23dione
846027096
CCCCOC1=C(C=C(C=C1)C2C(=C(C3=CC4=C(C=C3)OC(C4)C)O)C(=O)C(=O)N2CC5=CC=CC=C5)OCC
CCCCOc1ccc(cc1OCC)C1C(=C(c2ccc3c(c2)CC(O3)C)O)C(=O)C(=O)N1Cc1ccccc1
InChI=1SC33H35NO6c146163927151223(1928(27)3852)3029(31(35)2413142625(1824)1721(3)4026)32(36)33(37)34(30)2022108791122h7151819213035H46161720H213H3b3129+
MFCD04080399
ZINC000102862756
ZINC000102862769
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