Vitas-M small molecule compound

(2S,6'R)-7-chloro-4,6-dimethoxy-6'-methyl-4'-{[2-oxo-4-(trifluoromethyl)-2H-chromen-7-yl]amino}-2'H,3H-spiro[1-benzofuran-2,1'-cyclohex[3]ene]-2',3-dione

Catalog ID
STL549790
SMILES COc1cc(OC)c(c2c1C(=O)[C@]1(O2)[C@H](C)CC(=CC1=O)Nc1ccc2c(c1)oc(=O)cc2C(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(31-12-4-5-14-15(26(28,29)30)9-20(33)37-16(14)7-12)8-19(32)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/s1
InChIKey
SFHPECQEZWIQMP-NDHGSNPTSA-N
Synonyms

(1S6R)7chloro46dimethoxy6methyl4((2oxo4(trifluoromethyl)2Hchromen7yl)amino)3Hspiro(benzofuran21cyclohex(3)ene)23dione
(2~(S)5~(R))7chloro46dimethoxy5methyl3((2oxo4(trifluoromethyl)chromen7yl)amino)spiro(1benzofuran26cyclohex2ene)13dione
(2S6R)7chloro46dimethoxy6methyl4((2oxo4(trifluoromethyl)2Hchromen7yl)amino)2H3Hspiro(1benzofuran21cyclohex(3)ene)23dione
132352516
COc1cc(OC)c(c2c1C(=O)(C@)1(O2)(C@H)(C)CC(=CC1=O)Nc1ccc2c(c1)oc(=O)cc2C(F)(F)F)Cl
InChI=1SC26H19ClF3NO7c111613(3112451415(26(2829)30)920(33)3716(14)712)819(32)25(11)24(34)2117(352)1018(363)22(27)23(21)3825h4571131H6H213H3t1125+m1s1
ZINC000824567449

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Available files

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