Vitas-M small molecule compound
(E)-{4,5-dioxo-2-[4-(propan-2-yl)phenyl]-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene}[4-(prop-2-en-1-yloxy)phenyl]methanolate
Catalog ID
STL148407
SMILES C=CCOc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)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 C29H28N2O4 MW 468.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H28N2O4/c1-4-16-35-24-13-11-23(12-14-24)27(32)25-26(22-9-7-21(8-10-22)19(2)3)31(29(34)28(25)33)18-20-6-5-15-30-17-20/h4-15,17,19,26,32H,1,16,18H2,2-3H3/b27-25+InChIKey
CQFQMAOBTNTHDP-IMVLJIQESA-NSynonyms
(4E)4(HYDROXY(4PROP2ENOXYPHENYL)METHYLIDENE)5(4PROPAN2YLPHENYL)1(PYRIDIN3YLMETHYL)PYRROLIDINE23DIONE
(E)(45dioxo2(4(propan2yl)phenyl)1(pyridinium3ylmethyl)pyrrolidin3ylidene)(4(prop2en1yloxy)phenyl)methanolate
(E)(45DIOXO2(4PROPAN2YLPHENYL)1(PYRIDIN1IUM3YLMETHYL)PYRROLIDIN3YLIDENE)(4PROP2ENOXYPHENYL)METHANOLATE
4(4(ALLYLOXY)BENZOYL)3HYDROXY5(4ISOPROPYLPHENYL)1(PYRIDIN3YLMETHYL)1HPYRROL2(5H)ONE
C=CCOc1ccc(cc1)C(=C1C(=O)C(=O)N(C1c1ccc(cc1)C(C)C)Cc1ccc(nH+)c1)(O)
CC(C)C1=CC=C(C=C1)C2C(=C(C3=CC=C(C=C3)OCC=C)O)C(=O)C(=O)N2CC4=CN=CC=C4
InChI=1SC29H28N2O4c14163524131123(121424)27(32)2526(229721(81022)19(2)3)31(29(34)28(25)33)18206515301720h41517192632H11618H223H3b2725+
MFCD20755388
ZINC000101287282
ZINC000101287285
Check stock
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Check stock on Vitas-MAvailable files
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