Vitas-M small molecule compound
(E)-[2-methyl-4-(2-methylpropoxy)phenyl][2-(3-nitrophenyl)-4,5-dioxo-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene]methanolate
Catalog ID
STK565889
SMILES CC(COc1ccc(c(c1)C)/C(=C/1\C(=O)C(=O)N(C1c1cccc(c1)[N+](=O)[O-])Cc1ccc[nH+]c1)/[O-])C
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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/c1-17(2)16-37-22-9-10-23(18(3)12-22)26(32)24-25(20-7-4-8-21(13-20)31(35)36)30(28(34)27(24)33)15-19-6-5-11-29-14-19/h4-14,17,25,32H,15-16H2,1-3H3/b26-24+InChIKey
UEZAQKSBBFPOIT-SHHOIMCASA-NSynonyms
487019-94-3(4E)4(HYDROXY(2METHYL4(2METHYLPROPOXY)PHENYL)METHYLIDENE)5(3NITROPHENYL)1(PYRIDIN3YLMETHYL)PYRROLIDINE23DIONE
(E)(2METHYL4(2METHYLPROPOXY)PHENYL)(2(3NITROPHENYL)45DIOXO1(PYRIDIN1IUM3YLMETHYL)PYRROLIDIN3YLIDENE)METHANOLATE
(E)(2methyl4(2methylpropoxy)phenyl)(2(3nitrophenyl)45dioxo1(pyridinium3ylmethyl)pyrrolidin3ylidene)methanolate
487019943
CC(COc1ccc(c(c1)C)C(=C1C(=O)C(=O)N(C1c1cccc(c1)(N+)(=O)(O))Cc1ccc(nH+)c1)(O))C
CC1=C(C=CC(=C1)OCC(C)C)C(=C2C(N(C(=O)C2=O)CC3=CN=CC=C3)C4=CC(=CC=C4)(N+)(=O)(O))O
InChI=1SC28H27N3O6c117(2)16372291023(18(3)1222)26(32)2425(2074821(1320)31(35)36)30(28(34)27(24)33)15196511291419h414172532H1516H213H3b2624+
MFCD18244890
ZINC000102169183
ZINC000102169187
Check stock
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Check stock on Vitas-MAvailable files
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