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-fluorobenzoic acid
Catalog ID
STL550161
SMILES COc1cc(OC)c(c2c1C(=O)[C@]1(O2)[C@H](C)CC(=CC1=O)Nc1cc(ccc1F)C(=O)O)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 C23H19ClFNO7 MW 475.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H19ClFNO7/c1-10-6-12(26-14-7-11(22(29)30)4-5-13(14)25)8-17(27)23(10)21(28)18-15(31-2)9-16(32-3)19(24)20(18)33-23/h4-5,7-10,26H,6H2,1-3H3,(H,29,30)/t10-,23+/m1/s1InChIKey
ASBYYCBDAMLLFQ-WYVULQQZSA-NSynonyms
127253118
3(((1S6R)7chloro46dimethoxy6methyl23dioxo3Hspiro(benzofuran21cyclohex(3)en)4yl)amino)4fluorobenzoicacid
3(((2~(S)5~(R))7chloro46dimethoxy5methyl33dioxospiro(1benzofuran24cyclohexene)1yl)amino)4fluorobenzoicacid
3(((2S6R)7chloro46dimethoxy6methyl23dioxo3Hspiro(1benzofuran21cyclohex(3)en)4yl)amino)4fluorobenzoicacid
COc1cc(OC)c(c2c1C(=O)(C@)1(O2)(C@H)(C)CC(=CC1=O)Nc1cc(ccc1F)C(=O)O)Cl
InChI=1SC23H19ClFNO7c110612(2614711(22(29)30)4513(14)25)817(27)23(10)21(28)1815(312)916(323)19(24)20(18)3323h4571026H6H213H3(H2930)t1023+m1s1
ZINC000604404267
ZINC604404267
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