Vitas-M small molecule compound
(E)-2,3-dihydro-1,4-benzodioxin-6-yl{2-[3-(3-methylbutoxy)phenyl]-4,5-dioxo-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene}methanolate
Catalog ID
STL042690
SMILES CC(CCOc1cccc(c1)C1/C(=C(/c2ccc3c(c2)OCCO3)\[O-])/C(=O)C(=O)N1Cc1ccc[nH+]c1)C
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 C30H30N2O6 MW 514.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H30N2O6/c1-19(2)10-12-36-23-7-3-6-21(15-23)27-26(28(33)22-8-9-24-25(16-22)38-14-13-37-24)29(34)30(35)32(27)18-20-5-4-11-31-17-20/h3-9,11,15-17,19,27,33H,10,12-14,18H2,1-2H3/b28-26+InChIKey
JZKNUPLVNGVGEJ-BYCLXTJYSA-NSynonyms
587002-66-2(4E)4(23DIHYDRO14BENZODIOXIN6YL(HYDROXY)METHYLIDENE)5(3(3METHYLBUTOXY)PHENYL)1(PYRIDIN3YLMETHYL)PYRROLIDINE23DIONE
(E)23DIHYDRO14BENZODIOXIN6YL(2(3(3METHYLBUTOXY)PHENYL)45DIOXO1(PYRIDIN1IUM3YLMETHYL)PYRROLIDIN3YLIDENE)METHANOLATE
(E)23dihydro14benzodioxin6yl(2(3(3methylbutoxy)phenyl)45dioxo1(pyridinium3ylmethyl)pyrrolidin3ylidene)methanolate
587002662
CC(C)CCOC1=CC=CC(=C1)C2C(=C(C3=CC4=C(C=C3)OCCO4)(O))C(=O)C(=O)N2CC5=C(NH+)=CC=C5
CC(CCOc1cccc(c1)C1C(=C(c2ccc3c(c2)OCCO3)(O))C(=O)C(=O)N1Cc1ccc(nH+)c1)C
InChI=1SC30H30N2O6c119(2)1012362373621(1523)2726(28(33)22892425(1622)3814133724)29(34)30(35)32(27)18205411311720h39111517192733H10121418H212H3b2826+
MFCD18248176
ZINC000102076875
ZINC000102076879
Check stock
See real-time availability and sample size for STL042690 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.