Vitas-M small molecule compound
7-chloro-4,6-dimethoxy-6'-methyl-4'-{[(3-methyl-1H-pyrazol-4-yl)methyl]amino}-2'H,3H-spiro[1-benzofuran-2,1'-cyclohex[3]ene]-2',3-dione
Catalog ID
STL551255
SMILES COc1cc(OC)c(c2c1C(=O)C1(O2)C(C)CC(=CC1=O)NCc1c[nH]nc1C)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 C21H22ClN3O5 MW 431.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22ClN3O5/c1-10-5-13(23-8-12-9-24-25-11(12)2)6-16(26)21(10)20(27)17-14(28-3)7-15(29-4)18(22)19(17)30-21/h6-7,9-10,23H,5,8H2,1-4H3,(H,24,25)InChIKey
QSNOIQXQVKCVFE-UHFFFAOYSA-NSynonyms
(1S6R)7chloro46dimethoxy6methyl4(((5methyl1Hpyrazol4yl)methyl)amino)3Hspiro(benzofuran21cyclohex(3)ene)23dione
132285844
7chloro46dimethoxy5methyl3((5methyl1~(H)pyrazol4yl)methylamino)spiro(1benzofuran26cyclohex2ene)13dione
7chloro46dimethoxy6methyl4(((3methyl1Hpyrazol4yl)methyl)amino)2H3Hspiro(1benzofuran21cyclohex(3)ene)23dione
COc1cc(OC)c(c2c1C(=O)(C@)1(O2)(C@H)(C)CC(=CC1=O)NCc1cn(nH)c1C)Cl
InChI=1SC21H22ClN3O5c110513(238129242511(12)2)616(26)21(10)20(27)1714(283)715(294)18(22)19(17)3021h6791023H58H214H3(H2425)
MFCD31758030
ZINC000604405568
ZINC000888088772
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