Vitas-M small molecule compound
(E)-{1-[3-(dimethylammonio)propyl]-2-(4-hydroxy-3-methoxyphenyl)-4,5-dioxopyrrolidin-3-ylidene}{4-[(2-methylbenzyl)oxy]phenyl}methanolate
Catalog ID
STL147411
SMILES COc1cc(ccc1O)C1N(CCC[NH+](C)C)C(=O)C(=O)/C/1=C(\c1ccc(cc1)OCc1ccccc1C)/[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 C31H34N2O6 MW 530.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H34N2O6/c1-20-8-5-6-9-23(20)19-39-24-13-10-21(11-14-24)29(35)27-28(22-12-15-25(34)26(18-22)38-4)33(31(37)30(27)36)17-7-16-32(2)3/h5-6,8-15,18,28,34-35H,7,16-17,19H2,1-4H3/b29-27+InChIKey
CAFIJGLDCUVXST-ORIPQNMZSA-NSynonyms
843617-14-1(4E)1(3(DIMETHYLAMINO)PROPYL)5(4HYDROXY3METHOXYPHENYL)4(HYDROXY(4((2METHYLPHENYL)METHOXY)PHENYL)METHYLIDENE)PYRROLIDINE23DIONE
(E)(1(3(dimethylammonio)propyl)2(4hydroxy3methoxyphenyl)45dioxopyrrolidin3ylidene)(4((2methylbenzyl)oxy)phenyl)methanolate
(E)(1(3(DIMETHYLAZANIUMYL)PROPYL)2(4HYDROXY3METHOXYPHENYL)45DIOXOPYRROLIDIN3YLIDENE)(4((2METHYLPHENYL)METHOXY)PHENYL)METHANOLATE
843617141
CC1=CC=CC=C1COC2=CC=C(C=C2)C(=C3C(N(C(=O)C3=O)CCC(NH+)(C)C)C4=CC(=C(C=C4)O)OC)(O)
COc1cc(ccc1O)C1N(CCC(NH+)(C)C)C(=O)C(=O)C1=C(c1ccc(cc1)OCc1ccccc1C)(O)
InChI=1SC31H34N2O6c120856923(20)193924131021(111424)29(35)2728(22121525(34)26(1822)384)33(31(37)30(27)36)1771632(2)3h5681518283435H7161719H214H3b2927+
MFCD20755194
ZINC000102925321
ZINC000102925324
Check stock
See real-time availability and sample size for STL147411 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
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