Vitas-M small molecule compound
(E)-{1'-[3-(dimethylammonio)propyl]-2,4',5'-trioxo-1-propyl-1,2-dihydro-3'H-spiro[indole-3,2'-pyrrolidin]-3'-ylidene}(4-propoxyphenyl)methanolate
Catalog ID
STL042485
SMILES CCCOc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C21C(=O)N(c1c2cccc1)CCC)CCC[NH+](C)C)/[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 C29H35N3O5 MW 505.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H35N3O5/c1-5-16-31-23-11-8-7-10-22(23)29(28(31)36)24(26(34)27(35)32(29)18-9-17-30(3)4)25(33)20-12-14-21(15-13-20)37-19-6-2/h7-8,10-15,33H,5-6,9,16-19H2,1-4H3/b25-24-InChIKey
IGBVCBWAPGHPDI-IZHYLOQSSA-NSynonyms
844458-17-9(4E)1(3(DIMETHYLAMINO)PROPYL)4(HYDROXY(4PROPOXYPHENYL)METHYLIDENE)1PROPYLSPIRO(INDOLE35PYRROLIDINE)223TRIONE
(E)(1(3(dimethylammonio)propyl)245trioxo1propyl12dihydro3Hspiro(indole32pyrrolidin)3ylidene)(4propoxyphenyl)methanolate
(E)(1(3(DIMETHYLAZANIUMYL)PROPYL)245TRIOXO1PROPYLSPIRO(INDOLE32PYRROLIDINE)3YLIDENE)(4PROPOXYPHENYL)METHANOLATE
844458179
CCCN1C2=CC=CC=C2C3(C1=O)C(=C(C4=CC=C(C=C4)OCCC)(O))C(=O)C(=O)N3CCC(NH+)(C)C
CCCOc1ccc(cc1)C(=C1C(=O)C(=O)N(C21C(=O)N(c1c2cccc1)CCC)CCC(NH+)(C)C)(O)
InChI=1SC29H35N3O5c1516312311871022(23)29(28(31)36)24(26(34)27(35)32(29)1891730(3)4)25(33)20121421(151320)371962h78101533H5691619H214H3b2524
MFCD18248165
ZINC000009242487
ZINC000009242488
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.