Vitas-M small molecule compound
dimethyl 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}benzene-1,4-dicarboxylate
Catalog ID
STL549372
SMILES COC(=O)c1ccc(cc1NC1=CC(=O)[C@]2([C@@H](C1)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)C(=O)OC
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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 C26H24ClNO9 MW 529.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H24ClNO9/c1-12-8-14(28-16-9-13(24(31)35-4)6-7-15(16)25(32)36-5)10-19(29)26(12)23(30)20-17(33-2)11-18(34-3)21(27)22(20)37-26/h6-7,9-12,28H,8H2,1-5H3/t12-,26+/m1/s1InChIKey
WOCHKXARTQWIFI-RYZVSIALSA-NSynonyms
127253369
COC(=O)c1ccc(cc1NC1=CC(=O)(C@)2((C@@H)(C1)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)C(=O)OC
dimethyl2(((1S6R)7chloro46dimethoxy6methyl23dioxo3Hspiro(benzofuran21cyclohex(3)en)4yl)amino)terephthalate
dimethyl2(((2~(S)5~(R))7chloro46dimethoxy5methyl33dioxospiro(1benzofuran24cyclohexene)1yl)amino)benzene14dicarboxylate
dimethyl2(((2S6R)7chloro46dimethoxy6methyl23dioxo3Hspiro(1benzofuran21cyclohex(3)en)4yl)amino)benzene14dicarboxylate
InChI=1SC26H24ClNO9c112814(2816913(24(31)354)6715(16)25(32)365)1019(29)26(12)23(30)2017(332)1118(343)21(27)22(20)3726h6791228H8H215H3t1226+m1s1
ZINC000604405995
ZINC604405995
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