Vitas-M small molecule compound
tert-butyl 2-amino-5'-bromo-2',5-dioxo-1',2',5,6,7,8-hexahydrospiro[chromene-4,3'-indole]-3-carboxylate
Catalog ID
STL169655
SMILES Brc1ccc2c(c1)C1(C(=O)N2)C(=C(N)OC2=C1C(=O)CCC2)C(=O)OC(C)(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/c1-20(2,3)29-18(26)16-17(23)28-14-6-4-5-13(25)15(14)21(16)11-9-10(22)7-8-12(11)24-19(21)27/h7-9H,4-6,23H2,1-3H3,(H,24,27)InChIKey
NZSQRQGVQMRMIS-UHFFFAOYSA-NSynonyms
313381-94-1313381941
CC(C)(C)OC(=O)C1=C(OC2=C(C13C4=C(C=CC(=C4)Br)NC3=O)C(=O)CCC2)N
InChI=1SC21H21BrN2O5c120(23)2918(26)1617(23)281464513(25)15(14)21(16)11910(22)7812(11)2419(21)27h79H4623H213H3(H2427)
MFCD01242940
tertbutyl2amino5bromo25dioxo125678hexahydrospiro(chromene43indole)3carboxylate
tertbutyl2amino5bromo25dioxo5678tetrahydrospiro(chromene43indoline)3carboxylate
tertbutyl2amino5bromo25dioxospiro(1Hindole3478dihydro6Hchromene)3carboxylate
ZINC000006075193
ZINC000006075194
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