Vitas-M small molecule compound
3-{[(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}-4-methoxybenzoic acid
Catalog ID
STL550614
SMILES COc1ccc(cc1NC1=CC(=O)[C@]2([C@@H](C1)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)C(=O)O
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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 C24H22ClNO8 MW 487.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H22ClNO8/c1-11-7-13(26-14-8-12(23(29)30)5-6-15(14)31-2)9-18(27)24(11)22(28)19-16(32-3)10-17(33-4)20(25)21(19)34-24/h5-6,8-11,26H,7H2,1-4H3,(H,29,30)/t11-,24+/m1/s1InChIKey
QYKSLNAPWBFWLV-JNDILOIQSA-NSynonyms
127253382
3(((1S6R)7chloro46dimethoxy6methyl23dioxo3Hspiro(benzofuran21cyclohex(3)en)4yl)amino)4methoxybenzoicacid
3(((2~(S)5~(R))7chloro46dimethoxy5methyl33dioxospiro(1benzofuran24cyclohexene)1yl)amino)4methoxybenzoicacid
3(((2S6R)7chloro46dimethoxy6methyl23dioxo3Hspiro(1benzofuran21cyclohex(3)en)4yl)amino)4methoxybenzoicacid
COc1ccc(cc1NC1=CC(=O)(C@)2((C@@H)(C1)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)C(=O)O
InChI=1SC24H22ClNO8c111713(2614812(23(29)30)5615(14)312)918(27)24(11)22(28)1916(323)1017(334)20(25)21(19)3424h5681126H7H214H3(H2930)t1124+m1s1
ZINC000604405576
ZINC604405576
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