Vitas-M small molecule compound
(E)-{1-[3-(dimethylammonio)propyl]-4,5-dioxo-2-(3-phenoxyphenyl)pyrrolidin-3-ylidene}(4-methoxy-2-methylphenyl)methanolate
Catalog ID
STK561602
SMILES COc1ccc(c(c1)C)/C(=C/1\C(=O)C(=O)N(C1c1cccc(c1)Oc1ccccc1)CCC[NH+](C)C)/[O-]
Contact us by email for worldwide delivery information, pricing, and real‑time availability. Send us your quotation request, and we will confirm stock levels, provide exact costs and lead times, suggest alternatives or find analogs when helpful, and share any additional specifications you may need.
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 C30H32N2O5 MW 500.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H32N2O5/c1-20-18-23(36-4)14-15-25(20)28(33)26-27(32(30(35)29(26)34)17-9-16-31(2)3)21-10-8-13-24(19-21)37-22-11-6-5-7-12-22/h5-8,10-15,18-19,27,33H,9,16-17H2,1-4H3/b28-26+InChIKey
PCCWSPKRLKRDLF-BYCLXTJYSA-NSynonyms
487019-99-8(4E)1(3(DIMETHYLAMINO)PROPYL)4(HYDROXY(4METHOXY2METHYLPHENYL)METHYLIDENE)5(3PHENOXYPHENYL)PYRROLIDINE23DIONE
(E)(1(3(dimethylammonio)propyl)45dioxo2(3phenoxyphenyl)pyrrolidin3ylidene)(4methoxy2methylphenyl)methanolate
(E)(1(3(DIMETHYLAZANIUMYL)PROPYL)45DIOXO2(3PHENOXYPHENYL)PYRROLIDIN3YLIDENE)(4METHOXY2METHYLPHENYL)METHANOLATE
487019998
CC1=C(C=CC(=C1)OC)C(=C2C(N(C(=O)C2=O)CCC(NH+)(C)C)C3=CC(=CC=C3)OC4=CC=CC=C4)(O)
COc1ccc(c(c1)C)C(=C1C(=O)C(=O)N(C1c1cccc(c1)Oc1ccccc1)CCC(NH+)(C)C)(O)
InChI=1SC30H32N2O5c1201823(364)141525(20)28(33)2627(32(30(35)29(26)34)1791631(2)3)211081324(1921)3722116571222h58101518192733H91617H214H3b2826+
MFCD18243833
ZINC000102505404
ZINC000102505411
Check stock
See real-time availability and sample size for STK561602 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.