Vitas-M small molecule compound
(E)-{1-[2-(diethylammonio)ethyl]-2-(4-hydroxyphenyl)-4,5-dioxopyrrolidin-3-ylidene}[3-methyl-4-(2-methylpropoxy)phenyl]methanolate
Catalog ID
STL150072
SMILES CC[NH+](CCN1C(c2ccc(cc2)O)/C(=C(/c2ccc(c(c2)C)OCC(C)C)\[O-])/C(=O)C1=O)CC
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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 C28H36N2O5 MW 480.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H36N2O5/c1-6-29(7-2)14-15-30-25(20-8-11-22(31)12-9-20)24(27(33)28(30)34)26(32)21-10-13-23(19(5)16-21)35-17-18(3)4/h8-13,16,18,25,31-32H,6-7,14-15,17H2,1-5H3/b26-24+InChIKey
RBRBTWICXYSCKU-SHHOIMCASA-NSynonyms
489416-79-7(4E)1(2DIETHYLAMINOETHYL)4(HYDROXY(3METHYL4(2METHYLPROPOXY)PHENYL)METHYLIDENE)5(4HYDROXYPHENYL)PYRROLIDINE23DIONE
(E)(1(2(diethylammonio)ethyl)2(4hydroxyphenyl)45dioxopyrrolidin3ylidene)(3methyl4(2methylpropoxy)phenyl)methanolate
(E)(1(2(DIETHYLAZANIUMYL)ETHYL)2(4HYDROXYPHENYL)45DIOXOPYRROLIDIN3YLIDENE)(3METHYL4(2METHYLPROPOXY)PHENYL)METHANOLATE
489416797
CC(NH+)(CC)CCN1C(C(=C(C2=CC(=C(C=C2)OCC(C)C)C)(O))C(=O)C1=O)C3=CC=C(C=C3)O
CC(NH+)(CCN1C(c2ccc(cc2)O)C(=C(c2ccc(c(c2)C)OCC(C)C)(O))C(=O)C1=O)CC
InChI=1SC28H36N2O5c1629(72)14153025(2081122(31)12920)24(27(33)28(30)34)26(32)21101323(19(5)1621)351718(3)4h8131618253132H67141517H215H3b2624+
MFCD20755739
ZINC000009313127
ZINC000009313128
Check stock
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Check stock on Vitas-MAvailable files
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