Vitas-M small molecule compound
(E)-(4-butoxy-2-methylphenyl)[2-(3-nitrophenyl)-4,5-dioxo-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene]methanolate
Catalog ID
STL149968
SMILES CCCCOc1ccc(c(c1)C)/C(=C/1\C(=O)C(=O)N(C1c1cccc(c1)[N+](=O)[O-])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 C28H27N3O6 MW 501.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H27N3O6/c1-3-4-13-37-22-10-11-23(18(2)14-22)26(32)24-25(20-8-5-9-21(15-20)31(35)36)30(28(34)27(24)33)17-19-7-6-12-29-16-19/h5-12,14-16,25,32H,3-4,13,17H2,1-2H3/b26-24+InChIKey
JWUOYXGDHAIWGE-SHHOIMCASA-NSynonyms
371131-43-0(4E)4((4BUTOXY2METHYLPHENYL)HYDROXYMETHYLIDENE)5(3NITROPHENYL)1(PYRIDIN3YLMETHYL)PYRROLIDINE23DIONE
(E)(4BUTOXY2METHYLPHENYL)(2(3NITROPHENYL)45DIOXO1(PYRIDIN1IUM3YLMETHYL)PYRROLIDIN3YLIDENE)METHANOLATE
(E)(4butoxy2methylphenyl)(2(3nitrophenyl)45dioxo1(pyridinium3ylmethyl)pyrrolidin3ylidene)methanolate
371131430
CCCCOC1=CC(=C(C=C1)C(=C2C(N(C(=O)C2=O)CC3=CN=CC=C3)C4=CC(=CC=C4)(N+)(=O)(O))O)C
CCCCOc1ccc(c(c1)C)C(=C1C(=O)C(=O)N(C1c1cccc(c1)(N+)(=O)(O))Cc1ccc(nH+)c1)(O)
InChI=1SC28H27N3O6c134133722101123(18(2)1422)26(32)2425(2085921(1520)31(35)36)30(28(34)27(24)33)17197612291619h51214162532H341317H212H3b2624+
MFCD20755708
ZINC000102930050
ZINC000102930051
Check stock
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Check stock on Vitas-MAvailable files
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