Vitas-M small molecule compound
(E)-{2-(3,4-dimethoxyphenyl)-1-[3-(1H-imidazol-3-ium-1-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}[5-(methoxycarbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]methanolate
Catalog ID
STL037359
SMILES COc1ccc(cc1OC)C1N(CCCn2cc[nH+]c2)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 C27H30N4O7 MW 522.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H30N4O7/c1-15-20(16(2)29-22(15)27(35)38-5)24(32)21-23(17-7-8-18(36-3)19(13-17)37-4)31(26(34)25(21)33)11-6-10-30-12-9-28-14-30/h7-9,12-14,23,29,32H,6,10-11H2,1-5H3/b24-21+InChIKey
LPJNGULNIRPDBI-DARPEHSRSA-NSynonyms
846584-35-8(E)(2(34dimethoxyphenyl)1(3(1Himidazol3ium1yl)propyl)45dioxopyrrolidin3ylidene)(5(methoxycarbonyl)24dimethyl1Hpyrrol3yl)methanolate
846584358
CC1=C(NC(=C1C(=C2C(N(C(=O)C2=O)CCCN3C=CN=C3)C4=CC(=C(C=C4)OC)OC)O)C)C(=O)OC
COc1ccc(cc1OC)C1N(CCCn2cc(nH+)c2)C(=O)C(=O)C1=C(c1c(C)(nH)c(c1C)C(=O)OC)(O)
InChI=1SC27H30N4O7c11520(16(2)2922(15)27(35)385)24(32)2123(177818(363)19(1317)374)31(26(34)25(21)33)1161030129281430h791214232932H61011H215H3b2421+
METHYL4((2(34DIMETHOXYPHENYL)4HYDROXY1(3IMIDAZOLYLPROPYL)5OXO(3PYRROLIN3YL))CARBONYL)35DIMETHYLPYRROLE2CARBOXYLATE
METHYL4((E)(2(34DIMETHOXYPHENYL)1(3IMIDAZOL1YLPROPYL)45DIOXOPYRROLIDIN3YLIDENE)HYDROXYMETHYL)35DIMETHYL1HPYRROLE2CARBOXYLATE
MFCD18247408
ZINC000102857852
ZINC000102857854
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