Vitas-M small molecule compound
2-methoxyethyl 2-amino-5'-bromo-7,7-dimethyl-2',5-dioxo-1',2',5,6,7,8-hexahydrospiro[chromene-4,3'-indole]-3-carboxylate
Catalog ID
STL558553
SMILES COCCOC(=O)C1=C(N)OC2=C(C31C(=O)Nc1c3cc(Br)cc1)C(=O)CC(C2)(C)C
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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 C22H23BrN2O6 MW 491.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23BrN2O6/c1-21(2)9-14(26)16-15(10-21)31-18(24)17(19(27)30-7-6-29-3)22(16)12-8-11(23)4-5-13(12)25-20(22)28/h4-5,8H,6-7,9-10,24H2,1-3H3,(H,25,28)InChIKey
OSOUIBNSKWDOAI-UHFFFAOYSA-NSynonyms
(S)2methoxyethyl2amino5bromo77dimethyl25dioxo5678tetrahydrospiro(chromene43indoline)3carboxylate
2methoxyethyl2amino5bromo77dimethyl25dioxo125678hexahydrospiro(chromene43indole)3carboxylate
2methoxyethyl2amino5bromo77dimethyl25dioxospiro(1~(H)indole3468dihydrochromene)3carboxylate
3125766
COCCOC(=O)C1=C(N)OC2=C((C@@)31C(=O)Nc1c3cc(Br)cc1)C(=O)CC(C2)(C)C
InChI=1SC22H23BrN2O6c121(2)914(26)1615(1021)3118(24)17(19(27)3076293)22(16)12811(23)4513(12)2520(22)28h458H6791024H213H3(H2528)
MFCD01242939
ZINC000006191010
ZINC000006191013
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