Vitas-M small molecule compound
(2R,3'E,6'R)-7-chloro-3'-(1-{[2-(2,3-dioxo-3,4-dihydroquinoxalin-1(2H)-yl)ethyl]amino}ethylidene)-4,6-dimethoxy-6'-methyl-2'H,3H,4'H-spiro[1-benzofuran-2,1'-cyclohexane]-2',3,4'-trione
Catalog ID
STL579759
SMILES COc1cc(OC)c(c2c1C(=O)[C@]1(O2)[C@H](C)CC(=O)/C(=C(\NCCn2c(=O)c(=O)[nH]c3c2cccc3)/C)/C1=O)Cl
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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 C28H26ClN3O8 MW 567.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H26ClN3O8/c1-13-11-17(33)20(14(2)30-9-10-32-16-8-6-5-7-15(16)31-26(36)27(32)37)24(34)28(13)25(35)21-18(38-3)12-19(39-4)22(29)23(21)40-28/h5-8,12-13,30H,9-11H2,1-4H3,(H,31,36)/b20-14+/t13-,28+/m1/s1InChIKey
VTABLGRBGYILBA-SFHRNGRLSA-NSynonyms
(2R3E6R)7chloro3(1((2(23dioxo34dihydroquinoxalin1(2H)yl)ethyl)amino)ethylidene)46dimethoxy6methyl2H3H4Hspiro(1benzofuran21cyclohexane)234trione
InChI=1SC28H26ClN3O8c1131117(33)20(14(2)309103216865715(16)3126(36)27(32)37)24(34)28(13)25(35)2118(383)1219(394)22(29)23(21)4028h58121330H911H214H3(H3136)b2014+t1328+m1s1
MFCD33398087
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