Vitas-M small molecule compound
(E)-(4-butoxy-3-methylphenyl){2-(3-ethoxy-4-hydroxyphenyl)-1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}methanolate
Catalog ID
STL149195
SMILES CCCCOc1ccc(cc1C)/C(=C/1\C(=O)C(=O)N(C1c1ccc(c(c1)OCC)O)CCC[NH+]1CCOCC1)/[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 C31H40N2O7 MW 552.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H40N2O7/c1-4-6-16-40-25-11-9-23(19-21(25)3)29(35)27-28(22-8-10-24(34)26(20-22)39-5-2)33(31(37)30(27)36)13-7-12-32-14-17-38-18-15-32/h8-11,19-20,28,34-35H,4-7,12-18H2,1-3H3/b29-27+InChIKey
XGAXFLJPXPYLNP-ORIPQNMZSA-NSynonyms
(4E)4((4BUTOXY3METHYLPHENYL)HYDROXYMETHYLIDENE)5(3ETHOXY4HYDROXYPHENYL)1(3MORPHOLIN4YLPROPYL)PYRROLIDINE23DIONE
(E)(4butoxy3methylphenyl)(2(3ethoxy4hydroxyphenyl)1(3(morpholin4ium4yl)propyl)45dioxopyrrolidin3ylidene)methanolate
(E)(4BUTOXY3METHYLPHENYL)(2(3ETHOXY4HYDROXYPHENYL)1(3MORPHOLIN4IUM4YLPROPYL)45DIOXOPYRROLIDIN3YLIDENE)METHANOLATE
4(4BUTOXY3METHYLBENZOYL)5(3ETHOXY4HYDROXYPHENYL)3HYDROXY1(3MORPHOLIN4YLPROPYL)15DIHYDRO2HPYRROL2ONE
CCCCOC1=C(C=C(C=C1)C(=C2C(N(C(=O)C2=O)CCC(NH+)3CCOCC3)C4=CC(=C(C=C4)O)OCC)(O))C
CCCCOc1ccc(cc1C)C(=C1C(=O)C(=O)N(C1c1ccc(c(c1)OCC)O)CCC(NH+)1CCOCC1)(O)
InChI=1SC31H40N2O7c14616402511923(1921(25)3)29(35)2728(2281024(34)26(2022)3952)33(31(37)30(27)36)1371232141738181532h8111920283435H471218H213H3b2927+
MFCD20755548
ZINC000102928405
ZINC000102928408
Check stock
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