Vitas-M small molecule compound
(E)-{1-methyl-1'-[3-(morpholin-4-ium-4-yl)propyl]-2,4',5'-trioxo-1,2-dihydro-3'H-spiro[indole-3,2'-pyrrolidin]-3'-ylidene}(4-propoxyphenyl)methanolate
Catalog ID
STL056223
SMILES CCCOc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C21C(=O)N(c1c2cccc1)C)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 C29H33N3O6 MW 519.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H33N3O6/c1-3-17-38-21-11-9-20(10-12-21)25(33)24-26(34)27(35)32(14-6-13-31-15-18-37-19-16-31)29(24)22-7-4-5-8-23(22)30(2)28(29)36/h4-5,7-12,33H,3,6,13-19H2,1-2H3/b25-24-InChIKey
VXXWNMHHBQTPPC-IZHYLOQSSA-NSynonyms
848740-82-9(4E)4(HYDROXY(4PROPOXYPHENYL)METHYLIDENE)1METHYL1(3MORPHOLIN4YLPROPYL)SPIRO(INDOLE35PYRROLIDINE)223TRIONE
(E)(1methyl1(3(morpholin4ium4yl)propyl)245trioxo12dihydro3Hspiro(indole32pyrrolidin)3ylidene)(4propoxyphenyl)methanolate
(E)(1METHYL1(3MORPHOLIN4IUM4YLPROPYL)245TRIOXOSPIRO(INDOLE32PYRROLIDINE)3YLIDENE)(4PROPOXYPHENYL)METHANOLATE
848740829
CCCOC1=CC=C(C=C1)C(=C2C(=O)C(=O)N(C23C4=CC=CC=C4N(C3=O)C)CCC(NH+)5CCOCC5)(O)
CCCOc1ccc(cc1)C(=C1C(=O)C(=O)N(C21C(=O)N(c1c2cccc1)C)CCC(NH+)1CCOCC1)(O)
InChI=1SC29H33N3O6c1317382111920(101221)25(33)2426(34)27(35)32(1461331151837191631)29(24)22745823(22)30(2)28(29)36h4571233H361319H212H3b2524
MFCD18249723
ZINC000009328646
ZINC000009328648
Check stock
See real-time availability and sample size for STL056223 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.