Vitas-M small molecule compound
7-chloro-4,6-dimethoxy-6'-methyl-4'-({4-[3-(pyridin-2-yl)-1H-1,2,4-triazol-5-yl]phenyl}amino)-2'H,3H-spiro[1-benzofuran-2,1'-cyclohex[3]ene]-2',3-dione
Catalog ID
STL549645
SMILES COc1cc(OC)c(c2c1C(=O)C1(O2)C(C)CC(=CC1=O)Nc1ccc(cc1)c1[nH]nc(n1)c1ccccn1)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 C29H24ClN5O5 MW 557.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H24ClN5O5/c1-15-12-18(13-22(36)29(15)26(37)23-20(38-2)14-21(39-3)24(30)25(23)40-29)32-17-9-7-16(8-10-17)27-33-28(35-34-27)19-6-4-5-11-31-19/h4-11,13-15,32H,12H2,1-3H3,(H,33,34,35)InChIKey
KFFCUMFKMZGPDW-UHFFFAOYSA-NSynonyms
(1S6R)7chloro46dimethoxy6methyl4((4(5(pyridin2yl)1H124triazol3yl)phenyl)amino)3Hspiro(benzofuran21cyclohex(3)ene)23dione
132286259
7chloro46dimethoxy5methyl3(4(5pyridin2yl1~(H)124triazol3yl)anilino)spiro(1benzofuran26cyclohex2ene)13dione
7chloro46dimethoxy6methyl4((4(3(pyridin2yl)1H124triazol5yl)phenyl)amino)2H3Hspiro(1benzofuran21cyclohex(3)ene)23dione
COc1cc(OC)c(c2c1C(=O)(C@)1(O2)(C@H)(C)CC(=CC1=O)Nc1ccc(cc1)c1n(nH)c(n1)c1ccccn1)Cl
InChI=1SC29H24ClN5O5c1151218(1322(36)29(15)26(37)2320(382)1421(393)24(30)25(23)4029)32179716(81017)273328(353427)19645113119h411131532H12H213H3(H333435)
MFCD31757115
ZINC000604404761
ZINC000888089820
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