Vitas-M small molecule compound
(E)-{1-[3-(dimethylammonio)propyl]-2-(3-hydroxyphenyl)-4,5-dioxopyrrolidin-3-ylidene}{4-[(2-methylbenzyl)oxy]phenyl}methanolate
Catalog ID
STK560979
SMILES C[NH+](CCCN1C(c2cccc(c2)O)/C(=C(/c2ccc(cc2)OCc2ccccc2C)\[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 C30H32N2O5 MW 500.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H32N2O5/c1-20-8-4-5-9-23(20)19-37-25-14-12-21(13-15-25)28(34)26-27(22-10-6-11-24(33)18-22)32(30(36)29(26)35)17-7-16-31(2)3/h4-6,8-15,18,27,33-34H,7,16-17,19H2,1-3H3/b28-26+InChIKey
KFULOSADZRQDPO-BYCLXTJYSA-NSynonyms
586995-38-2(4E)1(3(DIMETHYLAMINO)PROPYL)4(HYDROXY(4((2METHYLPHENYL)METHOXY)PHENYL)METHYLIDENE)5(3HYDROXYPHENYL)PYRROLIDINE23DIONE
(E)(1(3(dimethylammonio)propyl)2(3hydroxyphenyl)45dioxopyrrolidin3ylidene)(4((2methylbenzyl)oxy)phenyl)methanolate
(E)(1(3(DIMETHYLAZANIUMYL)PROPYL)2(3HYDROXYPHENYL)45DIOXOPYRROLIDIN3YLIDENE)(4((2METHYLPHENYL)METHOXY)PHENYL)METHANOLATE
586995382
C(NH+)(CCCN1C(c2cccc(c2)O)C(=C(c2ccc(cc2)OCc2ccccc2C)(O))C(=O)C1=O)C
CC1=CC=CC=C1COC2=CC=C(C=C2)C(=C3C(N(C(=O)C3=O)CCCN(C)C)C4=CC(=CC=C4)O)O
InChI=1SC30H32N2O5c120845923(20)193725141221(131525)28(34)2627(221061124(33)1822)32(30(36)29(26)35)1771631(2)3h4681518273334H7161719H213H3b2826+
MFCD18243679
ZINC000102500624
ZINC000102500632
Check stock
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Check stock on Vitas-MAvailable files
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