Vitas-M small molecule compound
(E)-{2-(4-tert-butylphenyl)-1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}(2-methylimidazo[1,2-a]pyridin-3-yl)methanolate
Catalog ID
STL047190
SMILES O=C1C(=O)/C(=C(\c2c(C)nc3n2cccc3)/[O-])/C(N1CCC[NH+]1CCOCC1)c1ccc(cc1)C(C)(C)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 C30H36N4O4 MW 516.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H36N4O4/c1-20-25(33-14-6-5-8-23(33)31-20)27(35)24-26(21-9-11-22(12-10-21)30(2,3)4)34(29(37)28(24)36)15-7-13-32-16-18-38-19-17-32/h5-6,8-12,14,26,35H,7,13,15-19H2,1-4H3/b27-24+InChIKey
XBJHYHNYDNGEFF-SOYKGTTHSA-NSynonyms
630062-70-3(4E)5(4TERTBUTYLPHENYL)4(HYDROXY(2METHYLIMIDAZO(12A)PYRIDIN3YL)METHYLIDENE)1(3MORPHOLIN4YLPROPYL)PYRROLIDINE23DIONE
(E)(2(4tertbutylphenyl)1(3(morpholin4ium4yl)propyl)45dioxopyrrolidin3ylidene)(2methylimidazo(12a)pyridin3yl)methanolate
(E)(2(4TERTBUTYLPHENYL)1(3MORPHOLIN4IUM4YLPROPYL)45DIOXOPYRROLIDIN3YLIDENE)(2METHYLIMIDAZO(12A)PYRIDIN3YL)METHANOLATE
5(4(TERTBUTYL)PHENYL)3HYDROXY4((2METHYL(4HYDROIMIDAZO(12A)PYRIDIN3YL))CARBONYL)1(3MORPHOLIN4YLPROPYL)3PYRROLIN2ONE
630062703
CC1=C(N2C=CC=CC2=N1)C(=C3C(N(C(=O)C3=O)CCC(NH+)4CCOCC4)C5=CC=C(C=C5)C(C)(C)C)(O)
InChI=1SC30H36N4O4c12025(331465823(33)3120)27(35)2426(2191122(121021)30(23)4)34(29(37)28(24)36)1571332161838191732h56812142635H7131519H214H3b2724+
MFCD18249015
O=C1C(=O)C(=C(c2c(C)nc3n2cccc3)(O))C(N1CCC(NH+)1CCOCC1)c1ccc(cc1)C(C)(C)C
ZINC000102882172
ZINC000102882175
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