Vitas-M small molecule compound
(E)-{2-(4-ethylphenyl)-1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}[3-methyl-4-(propan-2-yloxy)phenyl]methanolate
Catalog ID
STL047299
SMILES CCc1ccc(cc1)C1N(CCC[NH+]2CCOCC2)C(=O)C(=O)/C/1=C(\c1ccc(c(c1)C)OC(C)C)/[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 C30H38N2O5 MW 506.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H38N2O5/c1-5-22-7-9-23(10-8-22)27-26(28(33)24-11-12-25(21(4)19-24)37-20(2)3)29(34)30(35)32(27)14-6-13-31-15-17-36-18-16-31/h7-12,19-20,27,33H,5-6,13-18H2,1-4H3/b28-26+InChIKey
TUSQZVDZBYFQAX-BYCLXTJYSA-NSynonyms
(4E)5(4ETHYLPHENYL)4(HYDROXY(3METHYL4PROPAN2YLOXYPHENYL)METHYLIDENE)1(3MORPHOLIN4YLPROPYL)PYRROLIDINE23DIONE
(E)(2(4ethylphenyl)1(3(morpholin4ium4yl)propyl)45dioxopyrrolidin3ylidene)(3methyl4(propan2yloxy)phenyl)methanolate
(E)(2(4ETHYLPHENYL)1(3MORPHOLIN4IUM4YLPROPYL)45DIOXOPYRROLIDIN3YLIDENE)(3METHYL4PROPAN2YLOXYPHENYL)METHANOLATE
5(4ETHYLPHENYL)3HYDROXY4(4ISOPROPOXY3METHYLBENZOYL)1(3MORPHOLINOPROPYL)1HPYRROL2(5H)ONE
CCC1=CC=C(C=C1)C2C(=C(C3=CC(=C(C=C3)OC(C)C)C)(O))C(=O)C(=O)N2CCC(NH+)4CCOCC4
CCc1ccc(cc1)C1N(CCC(NH+)2CCOCC2)C(=O)C(=O)C1=C(c1ccc(c(c1)C)OC(C)C)(O)
InChI=1SC30H38N2O5c15227923(10822)2726(28(33)24111225(21(4)1924)3720(2)3)29(34)30(35)32(27)1461331151736181631h71219202733H561318H214H3b2826+
MFCD18249041
ZINC000102882643
ZINC000102882647
Check stock
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Check stock on Vitas-MAvailable files
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