Vitas-M small molecule compound

N~2~-[(2S,6'R)-7-chloro-4,6-dimethoxy-6'-methyl-2',3-dioxo-3H-spiro[1-benzofuran-2,1'-cyclohex[3]en]-4'-yl]-N-pyridin-2-ylglycinamide

Catalog ID
STL551243
SMILES COc1cc(OC)c(c2c1C(=O)[C@]1(O2)[C@H](C)CC(=CC1=O)NCC(=O)Nc1ccccn1)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 C23H22ClN3O6 MW 471.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22ClN3O6/c1-12-8-13(26-11-18(29)27-17-6-4-5-7-25-17)9-16(28)23(12)22(30)19-14(31-2)10-15(32-3)20(24)21(19)33-23/h4-7,9-10,12,26H,8,11H2,1-3H3,(H,25,27,29)/t12-,23+/m1/s1
InChIKey
VYGZXPMTXGQGOH-SPSFWMDKSA-N
Synonyms

127253030
2(((1S6R)7chloro46dimethoxy6methyl23dioxo3Hspiro(benzofuran21cyclohex(3)en)4yl)amino)N(pyridin2yl)acetamide
2(((2~(S)5~(R))7chloro46dimethoxy5methyl33dioxospiro(1benzofuran24cyclohexene)1yl)amino)~(N)pyridin2ylacetamide
COc1cc(OC)c(c2c1C(=O)(C@)1(O2)(C@H)(C)CC(=CC1=O)NCC(=O)Nc1ccccn1)Cl
InChI=1SC23H22ClN3O6c112813(261118(29)271764572517)916(28)23(12)22(30)1914(312)1015(323)20(24)21(19)3323h479101226H811H213H3(H252729)t1223+m1s1
N~2~((2S6R)7chloro46dimethoxy6methyl23dioxo3Hspiro(1benzofuran21cyclohex(3)en)4yl)Npyridin2ylglycinamide
N2((2S6R)7CHLORO46DIMETHOXY6METHYL23DIOXO3HSPIRO(1BENZOFURAN21CYCLOHEX(3)EN)4YL)NPYRIDIN2YLGLYCINAMIDE
ZINC000604405982
ZINC604405982

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Available files

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