Vitas-M small molecule compound
(E)-{1-[3-(dimethylammonio)propyl]-2-[4-(methoxycarbonyl)phenyl]-4,5-dioxopyrrolidin-3-ylidene}(2-methylimidazo[1,2-a]pyridin-3-yl)methanolate
Catalog ID
STL044141
SMILES COC(=O)c1ccc(cc1)C1N(CCC[NH+](C)C)C(=O)C(=O)/C/1=C(\c1c(C)nc2n1cccc2)/[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 C26H28N4O5 MW 476.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H28N4O5/c1-16-21(29-14-6-5-8-19(29)27-16)23(31)20-22(17-9-11-18(12-10-17)26(34)35-4)30(25(33)24(20)32)15-7-13-28(2)3/h5-6,8-12,14,22,31H,7,13,15H2,1-4H3/b23-20+InChIKey
DNGDUBDUKYGGQC-BSYVCWPDSA-NSynonyms
630057-07-7(E)(1(3(dimethylammonio)propyl)2(4(methoxycarbonyl)phenyl)45dioxopyrrolidin3ylidene)(2methylimidazo(12a)pyridin3yl)methanolate
(E)(1(3(DIMETHYLAZANIUMYL)PROPYL)2(4METHOXYCARBONYLPHENYL)45DIOXOPYRROLIDIN3YLIDENE)(2METHYLIMIDAZO(12A)PYRIDIN3YL)METHANOLATE
630057077
CC1=C(N2C=CC=CC2=N1)C(=C3C(N(C(=O)C3=O)CCCN(C)C)C4=CC=C(C=C4)C(=O)OC)O
COC(=O)c1ccc(cc1)C1N(CCC(NH+)(C)C)C(=O)C(=O)C1=C(c1c(C)nc2n1cccc2)(O)
InChI=1SC26H28N4O5c11621(291465819(29)2716)23(31)2022(1791118(121017)26(34)354)30(25(33)24(20)32)1571328(2)3h56812142231H71315H214H3b2320+
METHYL4((3E)1(3(DIMETHYLAMINO)PROPYL)3(HYDROXY(2METHYLIMIDAZO(12A)PYRIDIN3YL)METHYLIDENE)45DIOXOPYRROLIDIN2YL)BENZOATE
METHYL4(1(3(DIMETHYLAMINO)PROPYL)4HYDROXY3((2METHYL(4HYDROIMIDAZO(12A)PYRIDIN3YL))CARBONYL)5OXO3PYRROLIN2YL)BENZOATE
MFCD18248358
ZINC000102874760
ZINC000102874764
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