Vitas-M small molecule compound
(E)-[4-(benzyloxy)-3-methylphenyl]{1-[2-(diethylammonio)ethyl]-2-(4-ethylphenyl)-4,5-dioxopyrrolidin-3-ylidene}methanolate
Catalog ID
STL044036
SMILES CC[NH+](CCN1C(=O)C(=O)/C(=C(\c2ccc(c(c2)C)OCc2ccccc2)/[O-])/C1c1ccc(cc1)CC)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 C33H38N2O4 MW 526.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H38N2O4/c1-5-24-13-15-26(16-14-24)30-29(32(37)33(38)35(30)20-19-34(6-2)7-3)31(36)27-17-18-28(23(4)21-27)39-22-25-11-9-8-10-12-25/h8-18,21,30,36H,5-7,19-20,22H2,1-4H3/b31-29+InChIKey
IVRXSFSCEVLVFC-OWWNRXNESA-NSynonyms
488811-14-9(4E)1(2DIETHYLAMINOETHYL)5(4ETHYLPHENYL)4(HYDROXY(3METHYL4PHENYLMETHOXYPHENYL)METHYLIDENE)PYRROLIDINE23DIONE
(E)(1(2(DIETHYLAZANIUMYL)ETHYL)2(4ETHYLPHENYL)45DIOXOPYRROLIDIN3YLIDENE)(3METHYL4PHENYLMETHOXYPHENYL)METHANOLATE
(E)(4(benzyloxy)3methylphenyl)(1(2(diethylammonio)ethyl)2(4ethylphenyl)45dioxopyrrolidin3ylidene)methanolate
488811149
CC(NH+)(CCN1C(=O)C(=O)C(=C(c2ccc(c(c2)C)OCc2ccccc2)(O))C1c1ccc(cc1)CC)CC
CCC1=CC=C(C=C1)C2C(=C(C3=CC(=C(C=C3)OCC4=CC=CC=C4)C)(O))C(=O)C(=O)N2CC(NH+)(CC)CC
InChI=1SC33H38N2O4c1524131526(161424)3029(32(37)33(38)35(30)201934(62)73)31(36)27171828(23(4)2127)3922251198101225h818213036H57192022H214H3b3129+
MFCD18248338
ZINC000102874217
ZINC000102874219
Check stock
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Check stock on Vitas-MAvailable files
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