Vitas-M small molecule compound
(E)-{2-(2,3-dimethoxyphenyl)-1-[2-(morpholin-4-ium-4-yl)ethyl]-4,5-dioxopyrrolidin-3-ylidene}[5-(methoxycarbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]methanolate
Catalog ID
STL037809
SMILES COc1cccc(c1OC)C1N(CC[NH+]2CCOCC2)C(=O)C(=O)/C/1=C(\c1c(C)[nH]c(c1C)C(=O)OC)/[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 C27H33N3O8 MW 527.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H33N3O8/c1-15-19(16(2)28-21(15)27(34)37-5)23(31)20-22(17-7-6-8-18(35-3)25(17)36-4)30(26(33)24(20)32)10-9-29-11-13-38-14-12-29/h6-8,22,28,31H,9-14H2,1-5H3/b23-20+InChIKey
MLOYRUZPLZOBGL-BSYVCWPDSA-NSynonyms
638135-05-4(E)(2(23dimethoxyphenyl)1(2(morpholin4ium4yl)ethyl)45dioxopyrrolidin3ylidene)(5(methoxycarbonyl)24dimethyl1Hpyrrol3yl)methanolate
(E)(2(23DIMETHOXYPHENYL)1(2MORPHOLIN4IUM4YLETHYL)45DIOXOPYRROLIDIN3YLIDENE)(5METHOXYCARBONYL24DIMETHYL1HPYRROL3YL)METHANOLATE
638135054
CC1=C(NC(=C1C(=C2C(N(C(=O)C2=O)CCN3CCOCC3)C4=C(C(=CC=C4)OC)OC)O)C)C(=O)OC
COc1cccc(c1OC)C1N(CC(NH+)2CCOCC2)C(=O)C(=O)C1=C(c1c(C)(nH)c(c1C)C(=O)OC)(O)
InChI=1SC27H33N3O8c11519(16(2)2821(15)27(34)375)23(31)2022(1776818(353)25(17)364)30(26(33)24(20)32)10929111338141229h68222831H914H215H3b2320+
METHYL4((2(23DIMETHOXYPHENYL)4HYDROXY1(2MORPHOLIN4YLETHYL)5OXO(3PYRROLIN3YL))CARBONYL)35DIMETHYLPYRROLE2CARBOXYLATE
METHYL4((E)(2(23DIMETHOXYPHENYL)1(2MORPHOLIN4YLETHYL)45DIOXOPYRROLIDIN3YLIDENE)HYDROXYMETHYL)35DIMETHYL1HPYRROLE2CARBOXYLATE
MFCD18247495
ZINC000102859747
ZINC000102859749
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