Vitas-M small molecule compound
(2R,3'E,6'R)-7-chloro-3'-{1-[(trans-4-hydroxycyclohexyl)amino]ethylidene}-4,6-dimethoxy-6'-methyl-2'H,3H,4'H-spiro[1-benzofuran-2,1'-cyclohexane]-2',3,4'-trione
Catalog ID
STL561774
SMILES COc1cc(OC)c(c2c1C(=O)[C@]1(O2)[C@H](C)CC(=O)/C(=C(\N[C@@H]2CC[C@H](CC2)O)/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 C24H28ClNO7 MW 477.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H28ClNO7/c1-11-9-15(28)18(12(2)26-13-5-7-14(27)8-6-13)22(29)24(11)23(30)19-16(31-3)10-17(32-4)20(25)21(19)33-24/h10-11,13-14,26-27H,5-9H2,1-4H3/b18-12+/t11-,13-,14-,24+/m1/s1InChIKey
RJNIGPXYRWXCOW-AZWJHZEESA-NSynonyms
(1R6RE)7chloro3(1(((1r4R)4hydroxycyclohexyl)amino)ethylidene)46dimethoxy6methyl3Hspiro(benzofuran21cyclohexane)234trione
(2R3E6R)7chloro3(1((trans4hydroxycyclohexyl)amino)ethylidene)46dimethoxy6methyl2H3H4Hspiro(1benzofuran21cyclohexane)234trione
COc1cc(OC)c(c2c1C(=O)(C@)1(O2)(C@H)(C)CC(=O)C(=C(N(C@@H)2CC(C@H)(CC2)O)C)C1=O)Cl
MFCD32650839
ZINC001848442997
Check stock
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Check stock on Vitas-MAvailable files
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