Vitas-M small molecule compound
(2R,3'E,6'R)-7-chloro-3'-[1-({2-[5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-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
STL579749
SMILES COc1cc(OC)c(c2c1C(=O)[C@]1(O2)[C@H](C)CC(=O)/C(=C(\NCCc2nnc(o2)c2ccccc2O)/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(34)21(14(2)30-10-9-20-31-32-27(39-20)15-7-5-6-8-16(15)33)25(35)28(13)26(36)22-18(37-3)12-19(38-4)23(29)24(22)40-28/h5-8,12-13,30,33H,9-11H2,1-4H3/b21-14+/t13-,28+/m1/s1InChIKey
NMYXYPOURUOBKF-GJDSJPDUSA-NSynonyms
(1R6RE)7chloro3(1((2(5(2hydroxyphenyl)134oxadiazol2yl)ethyl)amino)ethylidene)46dimethoxy6methyl3Hspiro(benzofuran21cyclohexane)234trione
(2R3E6R)7chloro3(1((2(5(2hydroxyphenyl)134oxadiazol2yl)ethyl)amino)ethylidene)46dimethoxy6methyl2H3H4Hspiro(1benzofuran21cyclohexane)234trione
COc1cc(OC)c(c2c1C(=O)(C@)1(O2)(C@H)(C)CC(=O)C(=C(NCCc2nnc(o2)c2ccccc2O)C)C1=O)Cl
InChI=1SC28H26ClN3O8c1131117(34)21(14(2)3010920313227(3920)15756816(15)33)25(35)28(13)26(36)2218(373)1219(384)23(29)24(22)4028h5812133033H911H214H3b2114+t1328+m1s1
MFCD33398077
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