Vitas-M small molecule compound
(E)-[3-methyl-4-(propan-2-yloxy)phenyl]{1-[2-(morpholin-4-ium-4-yl)ethyl]-4,5-dioxo-2-(3,4,5-trimethoxyphenyl)pyrrolidin-3-ylidene}methanolate
Catalog ID
STL046359
SMILES COc1c(OC)cc(cc1OC)C1/C(=C(/c2ccc(c(c2)C)OC(C)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 C30H38N2O8 MW 554.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H38N2O8/c1-18(2)40-22-8-7-20(15-19(22)3)27(33)25-26(21-16-23(36-4)29(38-6)24(17-21)37-5)32(30(35)28(25)34)10-9-31-11-13-39-14-12-31/h7-8,15-18,26,33H,9-14H2,1-6H3/b27-25+InChIKey
VIHHGGHMLZVAMI-IMVLJIQESA-NSynonyms
(4E)4(HYDROXY(3METHYL4PROPAN2YLOXYPHENYL)METHYLIDENE)1(2MORPHOLIN4YLETHYL)5(345TRIMETHOXYPHENYL)PYRROLIDINE23DIONE
(E)(3methyl4(propan2yloxy)phenyl)(1(2(morpholin4ium4yl)ethyl)45dioxo2(345trimethoxyphenyl)pyrrolidin3ylidene)methanolate
(E)(3METHYL4PROPAN2YLOXYPHENYL)(1(2MORPHOLIN4IUM4YLETHYL)45DIOXO2(345TRIMETHOXYPHENYL)PYRROLIDIN3YLIDENE)METHANOLATE
CC1=C(C=CC(=C1)C(=C2C(N(C(=O)C2=O)CCN3CCOCC3)C4=CC(=C(C(=C4)OC)OC)OC)O)OC(C)C
COc1c(OC)cc(cc1OC)C1C(=C(c2ccc(c(c2)C)OC(C)C)(O))C(=O)C(=O)N1CC(NH+)1CCOCC1
InChI=1SC30H38N2O8c118(2)40228720(1519(22)3)27(33)2526(211623(364)29(386)24(1721)375)32(30(35)28(25)34)10931111339141231h7815182633H914H216H3b2725+
MFCD18248832
ZINC000102880483
ZINC000102880486
Check stock
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Check stock on Vitas-MAvailable files
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