Vitas-M small molecule compound
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]amino}-N,N-dimethylethanesulfonamide
Catalog ID
STL551050
SMILES COc1cc(OC)c(c2c1C(=O)[C@]1(O2)[C@H](C)CC(=CC1=O)NCCS(=O)(=O)N(C)C)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 C20H25ClN2O7S MW 472.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H25ClN2O7S/c1-11-8-12(22-6-7-31(26,27)23(2)3)9-15(24)20(11)19(25)16-13(28-4)10-14(29-5)17(21)18(16)30-20/h9-11,22H,6-8H2,1-5H3/t11-,20+/m1/s1InChIKey
BDKAVSGHYWWPJS-GIPWTMENSA-NSynonyms
127252844
2(((1S6R)7chloro46dimethoxy6methyl23dioxo3Hspiro(benzofuran21cyclohex(3)en)4yl)amino)NNdimethylethanesulfonamide
2(((2~(S)5~(R))7chloro46dimethoxy5methyl33dioxospiro(1benzofuran24cyclohexene)1yl)amino)~(N)~(N)dimethylethanesulfonamide
2(((2S6R)7chloro46dimethoxy6methyl23dioxo3Hspiro(1benzofuran21cyclohex(3)en)4yl)amino)NNdimethylethanesulfonamide
COc1cc(OC)c(c2c1C(=O)(C@)1(O2)(C@H)(C)CC(=CC1=O)NCCS(=O)(=O)N(C)C)Cl
InChI=1SC20H25ClN2O7Sc111812(226731(2627)23(2)3)915(24)20(11)19(25)1613(284)1014(295)17(21)18(16)3020h91122H68H215H3t1120+m1s1
ZINC000604404067
ZINC604404067
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