Vitas-M small molecule compound
(4E)-1-[3-(dimethylamino)propyl]-5-[3-ethoxy-4-(3-methylbutoxy)phenyl]-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]pyrrolidine-2,3-dione
Catalog ID
STK570454
SMILES CCOc1cc(ccc1OCCC(C)C)C1/C(=C(/c2ccc3c(c2)CC(O3)C)\O)/C(=O)C(=O)N1CCCN(C)C
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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 C32H42N2O6 MW 550.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H42N2O6/c1-7-38-27-19-22(9-12-26(27)39-16-13-20(2)3)29-28(31(36)32(37)34(29)15-8-14-33(5)6)30(35)23-10-11-25-24(18-23)17-21(4)40-25/h9-12,18-21,29,35H,7-8,13-17H2,1-6H3/b30-28+InChIKey
DXCCMDCTRJHYEF-SJCQXOIGSA-NSynonyms
893696-93-0(4E)1(3(dimethylamino)propyl)5(3ethoxy4(3methylbutoxy)phenyl)4(hydroxy(2methyl23dihydro1benzofuran5yl)methylidene)pyrrolidine23dione
893696930
CCOC1=C(C=CC(=C1)C2C(=C(C3=CC4=C(C=C3)OC(C4)C)O)C(=O)C(=O)N2CCCN(C)C)OCCC(C)C
CCOc1cc(ccc1OCCC(C)C)C1C(=C(c2ccc3c(c2)CC(O3)C)O)C(=O)C(=O)N1CCCN(C)C
InChI=1SC32H42N2O6c1738271922(91226(27)39161320(2)3)2928(31(36)32(37)34(29)1581433(5)6)30(35)2310112524(1823)1721(4)4025h91218212935H781317H216H3b3028+
MFCD05733553
ZINC000102562601
ZINC000102655265
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