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-[4-(propan-2-yl)phenyl]pyrrolidin-3-ylidene}methanolate
Catalog ID
STL149731
SMILES CC1Cc2c(O1)ccc(c2)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)C(C)C)CCC[NH+]1CCOCC1)/[O-]
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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 C30H36N2O5 MW 504.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H36N2O5/c1-19(2)21-5-7-22(8-6-21)27-26(28(33)23-9-10-25-24(18-23)17-20(3)37-25)29(34)30(35)32(27)12-4-11-31-13-15-36-16-14-31/h5-10,18-20,27,33H,4,11-17H2,1-3H3/b28-26+InChIKey
MAIIOTXKVZDBCI-BYCLXTJYSA-NSynonyms
575467-52-6(4E)4(HYDROXY(2METHYL23DIHYDRO1BENZOFURAN5YL)METHYLIDENE)1(3MORPHOLIN4YLPROPYL)5(4PROPAN2YLPHENYL)PYRROLIDINE23DIONE
(E)(2methyl23dihydro1benzofuran5yl)(1(3(morpholin4ium4yl)propyl)45dioxo2(4(propan2yl)phenyl)pyrrolidin3ylidene)methanolate
(E)(2METHYL23DIHYDRO1BENZOFURAN5YL)(1(3MORPHOLIN4IUM4YLPROPYL)45DIOXO2(4PROPAN2YLPHENYL)PYRROLIDIN3YLIDENE)METHANOLATE
575467526
CC1CC2=C(O1)C=CC(=C2)C(=C3C(N(C(=O)C3=O)CCCN4CCOCC4)C5=CC=C(C=C5)C(C)C)O
CC1Cc2c(O1)ccc(c2)C(=C1C(=O)C(=O)N(C1c1ccc(cc1)C(C)C)CCC(NH+)1CCOCC1)(O)
InChI=1SC30H36N2O5c119(2)215722(8621)2726(28(33)239102524(1823)1720(3)3725)29(34)30(35)32(27)1241131131536161431h51018202733H41117H213H3b2826+
MFCD20755662
ZINC000102735093
ZINC000102735101
Check stock
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Check stock on Vitas-MAvailable files
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