Vitas-M small molecule compound
(E)-[2-methyl-4-(propan-2-yloxy)phenyl]{1-[3-(morpholin-4-ium-4-yl)propyl]-2-(3-nitrophenyl)-4,5-dioxopyrrolidin-3-ylidene}methanolate
Catalog ID
STK564980
SMILES CC(Oc1ccc(c(c1)C)/C(=C/1\C(=O)C(=O)N(C1c1cccc(c1)[N+](=O)[O-])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 C28H33N3O7 MW 523.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H33N3O7/c1-18(2)38-22-8-9-23(19(3)16-22)26(32)24-25(20-6-4-7-21(17-20)31(35)36)30(28(34)27(24)33)11-5-10-29-12-14-37-15-13-29/h4,6-9,16-18,25,32H,5,10-15H2,1-3H3/b26-24+InChIKey
JWAATJJQLXGSRI-SHHOIMCASA-NSynonyms
(4E)4(HYDROXY(2METHYL4PROPAN2YLOXYPHENYL)METHYLIDENE)1(3MORPHOLIN4YLPROPYL)5(3NITROPHENYL)PYRROLIDINE23DIONE
(E)(2methyl4(propan2yloxy)phenyl)(1(3(morpholin4ium4yl)propyl)2(3nitrophenyl)45dioxopyrrolidin3ylidene)methanolate
(E)(2METHYL4PROPAN2YLOXYPHENYL)(1(3MORPHOLIN4IUM4YLPROPYL)2(3NITROPHENYL)45DIOXOPYRROLIDIN3YLIDENE)METHANOLATE
3HYDROXY4(4ISOPROPOXY2METHYLBENZOYL)1(3MORPHOLINOPROPYL)5(3NITROPHENYL)1HPYRROL2(5H)ONE
CC(Oc1ccc(c(c1)C)C(=C1C(=O)C(=O)N(C1c1cccc(c1)(N+)(=O)(O))CCC(NH+)1CCOCC1)(O))C
CC1=C(C=CC(=C1)OC(C)C)C(=C2C(N(C(=O)C2=O)CCC(NH+)3CCOCC3)C4=CC(=CC=C4)(N+)(=O)(O))(O)
InChI=1SC28H33N3O7c118(2)38228923(19(3)1622)26(32)2425(2064721(1720)31(35)36)30(28(34)27(24)33)1151029121437151329h46916182532H51015H213H3b2624+
MFCD18244657
ZINC000102368252
ZINC000102368254
Check stock
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