Vitas-M small molecule compound
(E)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl){1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxo-2-[3-(prop-2-en-1-yloxy)phenyl]pyrrolidin-3-ylidene}methanolate
Catalog ID
STK561815
SMILES C=CCOc1cccc(c1)C1/C(=C(/c2ccc3c(c2)CC(O3)C)\[O-])/C(=O)C(=O)N1CCC[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 C30H34N2O6 MW 518.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H34N2O6/c1-3-14-37-24-7-4-6-21(19-24)27-26(28(33)22-8-9-25-23(18-22)17-20(2)38-25)29(34)30(35)32(27)11-5-10-31-12-15-36-16-13-31/h3-4,6-9,18-20,27,33H,1,5,10-17H2,2H3/b28-26+InChIKey
KDJAVTGRXZVXHK-BYCLXTJYSA-NSynonyms
577985-80-9(4E)4(HYDROXY(2METHYL23DIHYDRO1BENZOFURAN5YL)METHYLIDENE)1(3MORPHOLIN4YLPROPYL)5(3PROP2ENOXYPHENYL)PYRROLIDINE23DIONE
(E)(2methyl23dihydro1benzofuran5yl)(1(3(morpholin4ium4yl)propyl)45dioxo2(3(prop2en1yloxy)phenyl)pyrrolidin3ylidene)methanolate
(E)(2METHYL23DIHYDRO1BENZOFURAN5YL)(1(3MORPHOLIN4IUM4YLPROPYL)45DIOXO2(3PROP2ENOXYPHENYL)PYRROLIDIN3YLIDENE)METHANOLATE
577985809
C=CCOc1cccc(c1)C1C(=C(c2ccc3c(c2)CC(O3)C)(O))C(=O)C(=O)N1CCC(NH+)1CCOCC1
CC1CC2=C(O1)C=CC(=C2)C(=C3C(N(C(=O)C3=O)CCCN4CCOCC4)C5=CC(=CC=C5)OCC=C)O
InChI=1SC30H34N2O6c1314372474621(1924)2726(28(33)22892523(1822)1720(2)3825)29(34)30(35)32(27)1151031121536161331h346918202733H151017H22H3b2826+
MFCD18243898
ZINC000101313788
ZINC000101313800
Check stock
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Check stock on Vitas-MAvailable files
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