Vitas-M small molecule compound
(E)-{1-[3-(dimethylammonio)propyl]-4,5-dioxo-2-(3,4,5-trimethoxyphenyl)pyrrolidin-3-ylidene}(4-methoxy-3-methylphenyl)methanolate
Catalog ID
STK625650
SMILES COc1cc(cc(c1OC)OC)C1N(CCC[NH+](C)C)C(=O)C(=O)/C/1=C(\c1ccc(c(c1)C)OC)/[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 C27H34N2O7 MW 498.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H34N2O7/c1-16-13-17(9-10-19(16)33-4)24(30)22-23(29(27(32)25(22)31)12-8-11-28(2)3)18-14-20(34-5)26(36-7)21(15-18)35-6/h9-10,13-15,23,30H,8,11-12H2,1-7H3/b24-22+InChIKey
SGICSYMFUURFCD-ZNTNEXAZSA-NSynonyms
460045-55-0(4E)1(3(DIMETHYLAMINO)PROPYL)4(HYDROXY(4METHOXY3METHYLPHENYL)METHYLIDENE)5(345TRIMETHOXYPHENYL)PYRROLIDINE23DIONE
(E)(1(3(dimethylammonio)propyl)45dioxo2(345trimethoxyphenyl)pyrrolidin3ylidene)(4methoxy3methylphenyl)methanolate
(E)(1(3(DIMETHYLAZANIUMYL)PROPYL)45DIOXO2(345TRIMETHOXYPHENYL)PYRROLIDIN3YLIDENE)(4METHOXY3METHYLPHENYL)METHANOLATE
460045550
CC1=C(C=CC(=C1)C(=C2C(N(C(=O)C2=O)CCC(NH+)(C)C)C3=CC(=C(C(=C3)OC)OC)OC)(O))OC
COc1cc(cc(c1OC)OC)C1N(CCC(NH+)(C)C)C(=O)C(=O)C1=C(c1ccc(c(c1)C)OC)(O)
InChI=1SC27H34N2O7c1161317(91019(16)334)24(30)2223(29(27(32)25(22)31)1281128(2)3)181420(345)26(367)21(1518)356h91013152330H81112H217H3b2422+
MFCD18246467
ZINC000102727728
ZINC000102727731
Check stock
See real-time availability and sample size for STK625650 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.