Vitas-M small molecule compound
(E)-{2-(4-ethylphenyl)-1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}[4-(2-methylpropoxy)phenyl]methanolate
Catalog ID
STL050405
SMILES CCc1ccc(cc1)C1/C(=C(/c2ccc(cc2)OCC(C)C)\[O-])/C(=O)C(=O)N1CCC[NH+]1CCOCC1
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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 C30H38N2O5 MW 506.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H38N2O5/c1-4-22-6-8-23(9-7-22)27-26(28(33)24-10-12-25(13-11-24)37-20-21(2)3)29(34)30(35)32(27)15-5-14-31-16-18-36-19-17-31/h6-13,21,27,33H,4-5,14-20H2,1-3H3/b28-26+InChIKey
SINWOAHAWWTCGX-BYCLXTJYSA-NSynonyms
845661-97-4(4E)5(4ETHYLPHENYL)4(HYDROXY(4(2METHYLPROPOXY)PHENYL)METHYLIDENE)1(3MORPHOLIN4YLPROPYL)PYRROLIDINE23DIONE
(E)(2(4ethylphenyl)1(3(morpholin4ium4yl)propyl)45dioxopyrrolidin3ylidene)(4(2methylpropoxy)phenyl)methanolate
(E)(2(4ETHYLPHENYL)1(3MORPHOLIN4IUM4YLPROPYL)45DIOXOPYRROLIDIN3YLIDENE)(4(2METHYLPROPOXY)PHENYL)METHANOLATE
845661974
CCC1=CC=C(C=C1)C2C(=C(C3=CC=C(C=C3)OCC(C)C)O)C(=O)C(=O)N2CCCN4CCOCC4
CCc1ccc(cc1)C1C(=C(c2ccc(cc2)OCC(C)C)(O))C(=O)C(=O)N1CCC(NH+)1CCOCC1
InChI=1SC30H38N2O5c14226823(9722)2726(28(33)24101225(131124)372021(2)3)29(34)30(35)32(27)1551431161836191731h613212733H451420H213H3b2826+
MFCD18249334
ZINC000102887601
ZINC000102887604
Check stock
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Check stock on Vitas-MAvailable files
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