Vitas-M small molecule compound
(2S,6'R)-7-chloro-4,6-dimethoxy-6'-methyl-4'-{[4-oxo-2-(trifluoromethyl)-4H-chromen-6-yl]amino}-2'H,3H-spiro[1-benzofuran-2,1'-cyclohex[3]ene]-2',3-dione
Catalog ID
STL550719
SMILES COc1cc(OC)c(c2c1C(=O)[C@]1(O2)[C@H](C)CC(=CC1=O)Nc1ccc2c(c1)c(=O)cc(o2)C(F)(F)F)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 C26H19ClF3NO7 MW 549.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H19ClF3NO7/c1-11-6-13(31-12-4-5-16-14(7-12)15(32)9-20(37-16)26(28,29)30)8-19(33)25(11)24(34)21-17(35-2)10-18(36-3)22(27)23(21)38-25/h4-5,7-11,31H,6H2,1-3H3/t11-,25+/m1/s1InChIKey
SYOCLTPFNPKGHW-NDHGSNPTSA-NSynonyms
(1S6R)7chloro46dimethoxy6methyl4((4oxo2(trifluoromethyl)4Hchromen6yl)amino)3Hspiro(benzofuran21cyclohex(3)ene)23dione
(2~(S)5~(R))7chloro46dimethoxy5methyl3((4oxo2(trifluoromethyl)chromen6yl)amino)spiro(1benzofuran26cyclohex2ene)13dione
(2S6R)7chloro46dimethoxy6methyl4((4oxo2(trifluoromethyl)4Hchromen6yl)amino)2H3Hspiro(1benzofuran21cyclohex(3)ene)23dione
125430624
COc1cc(OC)c(c2c1C(=O)(C@)1(O2)(C@H)(C)CC(=CC1=O)Nc1ccc2c(c1)c(=O)cc(o2)C(F)(F)F)Cl
InChI=1SC26H19ClF3NO7c111613(3112451614(712)15(32)920(3716)26(2829)30)819(33)25(11)24(34)2117(352)1018(363)22(27)23(21)3825h4571131H6H213H3t1125+m1s1
ZINC000524732011
ZINC524732011
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