Vitas-M small molecule compound
tert-butyl 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
STK871874
SMILES Brc1ccc2c(c1)C1(C(=O)N2)C(=C(N)OC2=C1C(=O)CC(C2)(C)C)C(=O)OC(C)(C)C
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We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C23H25BrN2O5 MW 489.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H25BrN2O5/c1-21(2,3)31-19(28)17-18(25)30-15-10-22(4,5)9-14(27)16(15)23(17)12-8-11(24)6-7-13(12)26-20(23)29/h6-8H,9-10,25H2,1-5H3,(H,26,29)InChIKey
HYEMWAMJVMADAO-UHFFFAOYSA-NSynonyms
313381-93-0313381930
CC1(CC2=C(C(=O)C1)C3(C4=C(C=CC(=C4)Br)NC3=O)C(=C(O2)N)C(=O)OC(C)(C)C)C
InChI=1SC23H25BrN2O5c121(23)3119(28)1718(25)30151022(45)914(27)16(15)23(17)12811(24)6713(12)2620(23)29h68H91025H215H3(H2629)
MFCD01451065
tertbutyl2amino5bromo77dimethyl25dioxo125678hexahydrospiro(chromene43indole)3carboxylate
tertbutyl2amino5bromo77dimethyl25dioxo5678tetrahydrospiro(chromene43indoline)3carboxylate
tertbutyl2amino5bromo77dimethyl25dioxospiro(1Hindole3468dihydrochromene)3carboxylate
ZINC000004157123
ZINC000004157124
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