Vitas-M small molecule compound
methyl 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
STK832581
SMILES COC(=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 C20H19BrN2O5 MW 447.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19BrN2O5/c1-19(2)7-12(24)14-13(8-19)28-16(22)15(17(25)27-3)20(14)10-6-9(21)4-5-11(10)23-18(20)26/h4-6H,7-8,22H2,1-3H3,(H,23,26)InChIKey
ICFHTYYNVQGONA-UHFFFAOYSA-NSynonyms
336181-04-5336181045
CC1(CC2=C(C(=O)C1)C3(C4=C(C=CC(=C4)Br)NC3=O)C(=C(O2)N)C(=O)OC)C
InChI=1SC20H19BrN2O5c119(2)712(24)1413(819)2816(22)15(17(25)273)20(14)1069(21)4511(10)2318(20)26h46H7822H213H3(H2326)
METHYL2AMINO15BROMO77DIMETHYL512DIOXOSPIRO(4H678TRIHYDROCHROMENE43INDOLINE)3CARBOXYLATE
methyl2amino5bromo77dimethyl25dioxo125678hexahydrospiro(chromene43indole)3carboxylate
methyl2amino5bromo77dimethyl25dioxo5678tetrahydrospiro(chromene43indoline)3carboxylate
methyl2amino5bromo77dimethyl25dioxospiro(1Hindole3468dihydrochromene)3carboxylate
MFCD01114140
ZINC000000850195
ZINC000006191012
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