Vitas-M small molecule compound
(E)-[5-(methoxycarbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]{1-[3-(morpholin-4-ium-4-yl)propyl]-2-(4-nitrophenyl)-4,5-dioxopyrrolidin-3-ylidene}methanolate
Catalog ID
STL149190
SMILES COC(=O)c1[nH]c(c(c1C)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)[N+](=O)[O-])CCC[NH+]1CCOCC1)/[O-])C
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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 C26H30N4O8 MW 526.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H30N4O8/c1-15-19(16(2)27-21(15)26(34)37-3)23(31)20-22(17-5-7-18(8-6-17)30(35)36)29(25(33)24(20)32)10-4-9-28-11-13-38-14-12-28/h5-8,22,27,31H,4,9-14H2,1-3H3/b23-20+InChIKey
SDVCCNJQDMFPDB-BSYVCWPDSA-NSynonyms
638134-46-0(E)(5(methoxycarbonyl)24dimethyl1Hpyrrol3yl)(1(3(morpholin4ium4yl)propyl)2(4nitrophenyl)45dioxopyrrolidin3ylidene)methanolate
(E)(5METHOXYCARBONYL24DIMETHYL1HPYRROL3YL)(1(3MORPHOLIN4IUM4YLPROPYL)2(4NITROPHENYL)45DIOXOPYRROLIDIN3YLIDENE)METHANOLATE
638134460
CC1=C(NC(=C1C(=C2C(N(C(=O)C2=O)CCCN3CCOCC3)C4=CC=C(C=C4)(N+)(=O)(O))O)C)C(=O)OC
COC(=O)c1(nH)c(c(c1C)C(=C1C(=O)C(=O)N(C1c1ccc(cc1)(N+)(=O)(O))CCC(NH+)1CCOCC1)(O))C
InChI=1SC26H30N4O8c11519(16(2)2721(15)26(34)373)23(31)2022(175718(8617)30(35)36)29(25(33)24(20)32)104928111338141228h58222731H4914H213H3b2320+
METHYL4((4HYDROXY1(3MORPHOLIN4YLPROPYL)2(4NITROPHENYL)5OXO(3PYRROLIN3YL))CARBONYL)35DIMETHYLPYRROLE2CARBOXYLATE
METHYL4((E)HYDROXY(1(3MORPHOLIN4YLPROPYL)2(4NITROPHENYL)45DIOXOPYRROLIDIN3YLIDENE)METHYL)35DIMETHYL1HPYRROLE2CARBOXYLATE
MFCD20755546
ZINC000102929158
ZINC000102929160
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