Vitas-M small molecule compound
(E)-{1-[2-(dimethylammonio)ethyl]-2-(3-methoxyphenyl)-4,5-dioxopyrrolidin-3-ylidene}{4-[(3-methylbenzyl)oxy]phenyl}methanolate
Catalog ID
STL052329
SMILES COc1cccc(c1)C1N(CC[NH+](C)C)C(=O)C(=O)/C/1=C(\c1ccc(cc1)OCc1cccc(c1)C)/[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 C30H32N2O5 MW 500.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H32N2O5/c1-20-7-5-8-21(17-20)19-37-24-13-11-22(12-14-24)28(33)26-27(23-9-6-10-25(18-23)36-4)32(16-15-31(2)3)30(35)29(26)34/h5-14,17-18,27,33H,15-16,19H2,1-4H3/b28-26+InChIKey
XFNFXUJWKPUVRF-BYCLXTJYSA-NSynonyms
799830-99-2(4E)1(2DIMETHYLAMINOETHYL)4(HYDROXY(4((3METHYLPHENYL)METHOXY)PHENYL)METHYLIDENE)5(3METHOXYPHENYL)PYRROLIDINE23DIONE
(E)(1(2(dimethylammonio)ethyl)2(3methoxyphenyl)45dioxopyrrolidin3ylidene)(4((3methylbenzyl)oxy)phenyl)methanolate
(E)(1(2(DIMETHYLAZANIUMYL)ETHYL)2(3METHOXYPHENYL)45DIOXOPYRROLIDIN3YLIDENE)(4((3METHYLPHENYL)METHOXY)PHENYL)METHANOLATE
799830992
CC1=CC(=CC=C1)COC2=CC=C(C=C2)C(=C3C(N(C(=O)C3=O)CC(NH+)(C)C)C4=CC(=CC=C4)OC)(O)
COc1cccc(c1)C1N(CC(NH+)(C)C)C(=O)C(=O)C1=C(c1ccc(cc1)OCc1cccc(c1)C)(O)
InChI=1SC30H32N2O5c12075821(1720)193724131122(121424)28(33)2627(23961025(1823)364)32(161531(2)3)30(35)29(26)34h51417182733H151619H214H3b2826+
MFCD18249458
ZINC000102889724
ZINC000102889727
Check stock
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Check stock on Vitas-MAvailable files
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