Vitas-M small molecule compound
(E)-[4-(benzyloxy)-3-methylphenyl]{1-[2-(dimethylammonio)ethyl]-4,5-dioxo-2-(pyridin-3-yl)pyrrolidin-3-ylidene}methanolate
Catalog ID
STK565812
SMILES C[NH+](CCN1C(c2cccnc2)/C(=C(/c2ccc(c(c2)C)OCc2ccccc2)\[O-])/C(=O)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 C28H29N3O4 MW 471.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H29N3O4/c1-19-16-21(11-12-23(19)35-18-20-8-5-4-6-9-20)26(32)24-25(22-10-7-13-29-17-22)31(15-14-30(2)3)28(34)27(24)33/h4-13,16-17,25,32H,14-15,18H2,1-3H3/b26-24+InChIKey
BLDDBZCDFANOMD-SHHOIMCASA-NSynonyms
489465-25-0(4E)1(2DIMETHYLAMINOETHYL)4(HYDROXY(3METHYL4PHENYLMETHOXYPHENYL)METHYLIDENE)5PYRIDIN3YLPYRROLIDINE23DIONE
(E)(1(2(DIMETHYLAZANIUMYL)ETHYL)45DIOXO2PYRIDIN3YLPYRROLIDIN3YLIDENE)(3METHYL4PHENYLMETHOXYPHENYL)METHANOLATE
(E)(4(benzyloxy)3methylphenyl)(1(2(dimethylammonio)ethyl)45dioxo2(pyridin3yl)pyrrolidin3ylidene)methanolate
489465250
C(NH+)(CCN1C(c2cccnc2)C(=C(c2ccc(c(c2)C)OCc2ccccc2)(O))C(=O)C1=O)C
CC1=C(C=CC(=C1)C(=C2C(N(C(=O)C2=O)CC(NH+)(C)C)C3=CN=CC=C3)(O))OCC4=CC=CC=C4
InChI=1SC28H29N3O4c1191621(111223(19)3518208546920)26(32)2425(2210713291722)31(151430(2)3)28(34)27(24)33h41316172532H141518H213H3b2624+
MFCD18244874
ZINC000102537538
ZINC000102537546
Check stock
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Check stock on Vitas-MAvailable files
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