Vitas-M small molecule compound
(E)-[2-(4-tert-butylphenyl)-4,5-dioxo-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene](4-methoxy-2-methylphenyl)methanolate
Catalog ID
STK565800
SMILES COc1ccc(c(c1)C)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)C(C)(C)C)Cc1ccc[nH+]c1)/[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 C29H30N2O4 MW 470.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H30N2O4/c1-18-15-22(35-5)12-13-23(18)26(32)24-25(20-8-10-21(11-9-20)29(2,3)4)31(28(34)27(24)33)17-19-7-6-14-30-16-19/h6-16,25,32H,17H2,1-5H3/b26-24+InChIKey
GAWQMDMEQGTCPC-SHHOIMCASA-NSynonyms
371119-13-0(4E)5(4TERTBUTYLPHENYL)4(HYDROXY(4METHOXY2METHYLPHENYL)METHYLIDENE)1(PYRIDIN3YLMETHYL)PYRROLIDINE23DIONE
(E)(2(4TERTBUTYLPHENYL)45DIOXO1(PYRIDIN1IUM3YLMETHYL)PYRROLIDIN3YLIDENE)(4METHOXY2METHYLPHENYL)METHANOLATE
(E)(2(4tertbutylphenyl)45dioxo1(pyridinium3ylmethyl)pyrrolidin3ylidene)(4methoxy2methylphenyl)methanolate
371119130
5(4(TERTBUTYL)PHENYL)3HYDROXY4((4METHOXY2METHYLPHENYL)CARBONYL)1(3PYRIDYLMETHYL)3PYRROLIN2ONE
CC1=C(C=CC(=C1)OC)C(=C2C(N(C(=O)C2=O)CC3=CN=CC=C3)C4=CC=C(C=C4)C(C)(C)C)O
COc1ccc(c(c1)C)C(=C1C(=O)C(=O)N(C1c1ccc(cc1)C(C)(C)C)Cc1ccc(nH+)c1)(O)
InChI=1SC29H30N2O4c1181522(355)121323(18)26(32)2425(2081021(11920)29(23)4)31(28(34)27(24)33)17197614301619h6162532H17H215H3b2624+
MFCD18244873
ZINC000102537481
ZINC000102537491
Check stock
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Check stock on Vitas-MAvailable files
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