Vitas-M small molecule compound
(E)-[2-(4-tert-butylphenyl)-4,5-dioxo-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene](4-methoxy-3-methylphenyl)methanolate
Catalog ID
STK563726
SMILES COc1ccc(cc1C)/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/c1-18-15-21(10-13-23(18)35-5)26(32)24-25(20-8-11-22(12-9-20)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
DSBFULUFIXSZFM-SHHOIMCASA-NSynonyms
(4E)5(4TERTBUTYLPHENYL)4(HYDROXY(4METHOXY3METHYLPHENYL)METHYLIDENE)1(PYRIDIN3YLMETHYL)PYRROLIDINE23DIONE
(E)(2(4TERTBUTYLPHENYL)45DIOXO1(PYRIDIN1IUM3YLMETHYL)PYRROLIDIN3YLIDENE)(4METHOXY3METHYLPHENYL)METHANOLATE
(E)(2(4tertbutylphenyl)45dioxo1(pyridinium3ylmethyl)pyrrolidin3ylidene)(4methoxy3methylphenyl)methanolate
5(4TERTBUTYLPHENYL)3HYDROXY4(4METHOXY3METHYLBENZOYL)1(PYRIDIN3YLMETHYL)15DIHYDRO2HPYRROL2ONE
CC1=C(C=CC(=C1)C(=C2C(N(C(=O)C2=O)CC3=CN=CC=C3)C4=CC=C(C=C4)C(C)(C)C)O)OC
COc1ccc(cc1C)C(=C1C(=O)C(=O)N(C1c1ccc(cc1)C(C)(C)C)Cc1ccc(nH+)c1)(O)
InChI=1SC29H30N2O4c1181521(101323(18)355)26(32)2425(2081122(12920)29(23)4)31(28(34)27(24)33)17197614301619h6162532H17H215H3b2624+
MFCD18244369
ZINC000102522896
ZINC000102522907
Check stock
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Check stock on Vitas-MAvailable files
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