Vitas-M small molecule compound
(E)-{2-[3-ethoxy-4-(3-methylbutoxy)phenyl]-1-[2-(morpholin-4-ium-4-yl)ethyl]-4,5-dioxopyrrolidin-3-ylidene}(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanolate
Catalog ID
STK559075
SMILES CCOc1cc(ccc1OCCC(C)C)C1/C(=C(/c2ccc3c(c2)CC(O3)C)\[O-])/C(=O)C(=O)N1CC[NH+]1CCOCC1
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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 C33H42N2O7 MW 578.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H42N2O7/c1-5-40-28-20-23(6-9-27(28)41-15-10-21(2)3)30-29(31(36)24-7-8-26-25(19-24)18-22(4)42-26)32(37)33(38)35(30)12-11-34-13-16-39-17-14-34/h6-9,19-22,30,36H,5,10-18H2,1-4H3/b31-29+InChIKey
FQFAFEVMHGVQPF-OWWNRXNESA-NSynonyms
(4E)5(3ETHOXY4(3METHYLBUTOXY)PHENYL)4(HYDROXY(2METHYL23DIHYDRO1BENZOFURAN5YL)METHYLIDENE)1(2MORPHOLIN4YLETHYL)PYRROLIDINE23DIONE
(E)(2(3ethoxy4(3methylbutoxy)phenyl)1(2(morpholin4ium4yl)ethyl)45dioxopyrrolidin3ylidene)(2methyl23dihydro1benzofuran5yl)methanolate
(E)(2(3ETHOXY4(3METHYLBUTOXY)PHENYL)1(2MORPHOLIN4IUM4YLETHYL)45DIOXOPYRROLIDIN3YLIDENE)(2METHYL23DIHYDRO1BENZOFURAN5YL)METHANOLATE
CCOC1=C(C=CC(=C1)C2C(=C(C3=CC4=C(C=C3)OC(C4)C)(O))C(=O)C(=O)N2CC(NH+)5CCOCC5)OCCC(C)C
CCOc1cc(ccc1OCCC(C)C)C1C(=C(c2ccc3c(c2)CC(O3)C)(O))C(=O)C(=O)N1CC(NH+)1CCOCC1
InChI=1SC33H42N2O7c1540282023(6927(28)41151021(2)3)3029(31(36)24782625(1924)1822(4)4226)32(37)33(38)35(30)121134131639171434h6919223036H51018H214H3b3129+
MFCD18243184
ZINC000102484353
ZINC000102641239
Check stock
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