Vitas-M small molecule compound
(E)-{2-(4-tert-butylphenyl)-1-[3-(diethylammonio)propyl]-4,5-dioxopyrrolidin-3-ylidene}(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanolate
Catalog ID
STL149811
SMILES CC[NH+](CCCN1C(c2ccc(cc2)C(C)(C)C)/C(=C(/c2ccc3c(c2)CC(O3)C)\[O-])/C(=O)C1=O)CC
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 C31H40N2O4 MW 504.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H40N2O4/c1-7-32(8-2)16-9-17-33-27(21-10-13-24(14-11-21)31(4,5)6)26(29(35)30(33)36)28(34)22-12-15-25-23(19-22)18-20(3)37-25/h10-15,19-20,27,34H,7-9,16-18H2,1-6H3/b28-26+InChIKey
CTPRRNKUOMKQCR-BYCLXTJYSA-NSynonyms
587000-81-5(4E)5(4TERTBUTYLPHENYL)1(3(DIETHYLAMINO)PROPYL)4(HYDROXY(2METHYL23DIHYDRO1BENZOFURAN5YL)METHYLIDENE)PYRROLIDINE23DIONE
(E)(2(4tertbutylphenyl)1(3(diethylammonio)propyl)45dioxopyrrolidin3ylidene)(2methyl23dihydro1benzofuran5yl)methanolate
(E)(2(4TERTBUTYLPHENYL)1(3(DIETHYLAZANIUMYL)PROPYL)45DIOXOPYRROLIDIN3YLIDENE)(2METHYL23DIHYDRO1BENZOFURAN5YL)METHANOLATE
587000815
CC(NH+)(CCCN1C(c2ccc(cc2)C(C)(C)C)C(=C(c2ccc3c(c2)CC(O3)C)(O))C(=O)C1=O)CC
CCN(CC)CCCN1C(C(=C(C2=CC3=C(C=C2)OC(C3)C)O)C(=O)C1=O)C4=CC=C(C=C4)C(C)(C)C
InChI=1SC31H40N2O4c1732(82)169173327(21101324(141121)31(45)6)26(29(35)30(33)36)28(34)2212152523(1922)1820(3)3725h101519202734H791618H216H3b2826+
MFCD20755678
ZINC000009312696
ZINC000009312699
Check stock
See real-time availability and sample size for STL149811 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.