Vitas-M small molecule compound
(E)-[2-methyl-4-(2-methylpropoxy)phenyl]{1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxo-2-(3-phenoxyphenyl)pyrrolidin-3-ylidene}methanolate
Catalog ID
STK565176
SMILES CC(COc1ccc(c(c1)C)/C(=C/1\C(=O)C(=O)N(C1c1cccc(c1)Oc1ccccc1)CCC[NH+]1CCOCC1)/[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 C35H40N2O6 MW 584.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H40N2O6/c1-24(2)23-42-28-13-14-30(25(3)21-28)33(38)31-32(26-9-7-12-29(22-26)43-27-10-5-4-6-11-27)37(35(40)34(31)39)16-8-15-36-17-19-41-20-18-36/h4-7,9-14,21-22,24,32,38H,8,15-20,23H2,1-3H3/b33-31+InChIKey
NGPJNRCQLKBSQE-QOSDPKFLSA-NSynonyms
(4E)4(HYDROXY(2METHYL4(2METHYLPROPOXY)PHENYL)METHYLIDENE)1(3MORPHOLIN4YLPROPYL)5(3PHENOXYPHENYL)PYRROLIDINE23DIONE
(E)(2methyl4(2methylpropoxy)phenyl)(1(3(morpholin4ium4yl)propyl)45dioxo2(3phenoxyphenyl)pyrrolidin3ylidene)methanolate
(E)(2METHYL4(2METHYLPROPOXY)PHENYL)(1(3MORPHOLIN4IUM4YLPROPYL)45DIOXO2(3PHENOXYPHENYL)PYRROLIDIN3YLIDENE)METHANOLATE
3HYDROXY4(4ISOBUTOXY2METHYLBENZOYL)1(3MORPHOLIN4YLPROPYL)5(3PHENOXYPHENYL)15DIHYDRO2HPYRROL2ONE
CC(COc1ccc(c(c1)C)C(=C1C(=O)C(=O)N(C1c1cccc(c1)Oc1ccccc1)CCC(NH+)1CCOCC1)(O))C
CC1=C(C=CC(=C1)OCC(C)C)C(=C2C(N(C(=O)C2=O)CCC(NH+)3CCOCC3)C4=CC(=CC=C4)OC5=CC=CC=C5)(O)
InChI=1SC35H40N2O6c124(2)234228131430(25(3)2128)33(38)3132(26971229(2226)4327105461127)37(35(40)34(31)39)1681536171941201836h479142122243238H8152023H213H3b3331+
MFCD18244708
ZINC000102169203
ZINC000102169207
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