Vitas-M small molecule compound
(E)-{4,5-dioxo-2-[4-(propan-2-yl)phenyl]-1-(pyridinium-4-ylmethyl)pyrrolidin-3-ylidene}{4-[(3-methylbenzyl)oxy]phenyl}methanolate
Catalog ID
STL055711
SMILES Cc1cccc(c1)COc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)C(C)C)Cc1cc[nH+]cc1)/[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 C34H32N2O4 MW 532.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H32N2O4/c1-22(2)26-7-9-27(10-8-26)31-30(33(38)34(39)36(31)20-24-15-17-35-18-16-24)32(37)28-11-13-29(14-12-28)40-21-25-6-4-5-23(3)19-25/h4-19,22,31,37H,20-21H2,1-3H3/b32-30+InChIKey
CPQMUEKBRGUSDX-NHQGMKOOSA-NSynonyms
799830-40-3(4E)4(HYDROXY(4((3METHYLPHENYL)METHOXY)PHENYL)METHYLIDENE)5(4PROPAN2YLPHENYL)1(PYRIDIN4YLMETHYL)PYRROLIDINE23DIONE
(E)(45dioxo2(4(propan2yl)phenyl)1(pyridinium4ylmethyl)pyrrolidin3ylidene)(4((3methylbenzyl)oxy)phenyl)methanolate
(E)(45DIOXO2(4PROPAN2YLPHENYL)1(PYRIDIN1IUM4YLMETHYL)PYRROLIDIN3YLIDENE)(4((3METHYLPHENYL)METHOXY)PHENYL)METHANOLATE
799830403
CC1=CC(=CC=C1)COC2=CC=C(C=C2)C(=C3C(N(C(=O)C3=O)CC4=CC=NC=C4)C5=CC=C(C=C5)C(C)C)O
Cc1cccc(c1)COc1ccc(cc1)C(=C1C(=O)C(=O)N(C1c1ccc(cc1)C(C)C)Cc1cc(nH+)cc1)(O)
InChI=1SC34H32N2O4c122(2)267927(10826)3130(33(38)34(39)36(31)2024151735181624)32(37)28111329(141228)40212564523(3)1925h419223137H2021H213H3b3230+
MFCD18249699
ZINC000102895106
ZINC000102895109
Check stock
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Check stock on Vitas-MAvailable files
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