Vitas-M small molecule compound
(E)-{1-[2-(morpholin-4-ium-4-yl)ethyl]-4,5-dioxo-2-[4-(propan-2-yloxy)phenyl]pyrrolidin-3-ylidene}[4-(propan-2-yloxy)phenyl]methanolate
Catalog ID
STK561604
SMILES CC(Oc1ccc(cc1)/C(=C\1/C(c2ccc(cc2)OC(C)C)N(C(=O)C1=O)CC[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 C29H36N2O6 MW 508.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H36N2O6/c1-19(2)36-23-9-5-21(6-10-23)26-25(27(32)22-7-11-24(12-8-22)37-20(3)4)28(33)29(34)31(26)14-13-30-15-17-35-18-16-30/h5-12,19-20,26,32H,13-18H2,1-4H3/b27-25+InChIKey
KXLONGDFVJAYBX-IMVLJIQESA-NSynonyms
846583-66-2(4E)4(HYDROXY(4PROPAN2YLOXYPHENYL)METHYLIDENE)1(2MORPHOLIN4YLETHYL)5(4PROPAN2YLOXYPHENYL)PYRROLIDINE23DIONE
(E)(1(2(morpholin4ium4yl)ethyl)45dioxo2(4(propan2yloxy)phenyl)pyrrolidin3ylidene)(4(propan2yloxy)phenyl)methanolate
(E)(1(2MORPHOLIN4IUM4YLETHYL)45DIOXO2(4PROPAN2YLOXYPHENYL)PYRROLIDIN3YLIDENE)(4PROPAN2YLOXYPHENYL)METHANOLATE
3HYDROXY5(4(METHYLETHOXY)PHENYL)4((4(METHYLETHOXY)PHENYL)CARBONYL)1(2MORPHOLIN4YLETHYL)3PYRROLIN2ONE
846583662
CC(C)OC1=CC=C(C=C1)C2C(=C(C3=CC=C(C=C3)OC(C)C)O)C(=O)C(=O)N2CCN4CCOCC4
CC(Oc1ccc(cc1)C(=C1C(c2ccc(cc2)OC(C)C)N(C(=O)C1=O)CC(NH+)1CCOCC1)(O))C
InChI=1SC29H36N2O6c119(2)36239521(61023)2625(27(32)2271124(12822)3720(3)4)28(33)29(34)31(26)141330151735181630h51219202632H1318H214H3b2725+
MFCD18243835
ZINC000009068611
ZINC000009240699
Check stock
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