Vitas-M small molecule compound
ethyl 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
STK790949
SMILES CCOC(=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 C21H21BrN2O5 MW 461.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21BrN2O5/c1-4-28-18(26)16-17(23)29-14-9-20(2,3)8-13(25)15(14)21(16)11-7-10(22)5-6-12(11)24-19(21)27/h5-7H,4,8-9,23H2,1-3H3,(H,24,27)InChIKey
LMYRMERUWOGLNI-UHFFFAOYSA-NSynonyms
336181-03-4336181034
CCOC(=O)C1=C(OC2=C(C13C4=C(C=CC(=C4)Br)NC3=O)C(=O)CC(C2)(C)C)N
ETHYL2AMINO15BROMO77DIMETHYL512DIOXOSPIRO(4H678TRIHYDROCHROMENE43INDOLINE)3CARBOXYLATE
ethyl2amino5bromo77dimethyl25dioxo125678hexahydrospiro(chromene43indole)3carboxylate
ethyl2amino5bromo77dimethyl25dioxo5678tetrahydrospiro(chromene43indoline)3carboxylate
ethyl2amino5bromo77dimethyl25dioxospiro(1Hindole3468dihydrochromene)3carboxylate
InChI=1SC21H21BrN2O5c142818(26)1617(23)2914920(23)813(25)15(14)21(16)11710(22)5612(11)2419(21)27h57H48923H213H3(H2427)
MFCD00747880
ZINC000006545774
ZINC000006545784
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