Vitas-M small molecule compound
benzyl 6'-amino-5-bromo-5'-cyano-2'-methyl-2-oxo-1,2-dihydrospiro[indole-3,4'-pyran]-3'-carboxylate
Catalog ID
STK863582
SMILES N#CC1=C(N)OC(=C(C21C(=O)Nc1c2cc(Br)cc1)C(=O)OCc1ccccc1)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 C22H16BrN3O4 MW 466.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H16BrN3O4/c1-12-18(20(27)29-11-13-5-3-2-4-6-13)22(16(10-24)19(25)30-12)15-9-14(23)7-8-17(15)26-21(22)28/h2-9H,11,25H2,1H3,(H,26,28)InChIKey
XSOWFNWVNMDBFS-UHFFFAOYSA-NSynonyms
332104-00-4332104004
benzyl2amino5bromo3cyano6methyl2oxospiro(indoline34pyran)5carboxylate
benzyl6amino5bromo5cyano2methyl2oxo12dihydrospiro(indole34pyran)3carboxylate
BENZYL6AMINO5BROMO5CYANO2METHYL2OXOSPIRO(1HINDOLE34PYRAN)3CARBOXYLATE
CC1=C(C2(C3=C(C=CC(=C3)Br)NC2=O)C(=C(O1)N)C#N)C(=O)OCC4=CC=CC=C4
InChI=1SC22H16BrN3O4c11218(20(27)2911135324613)22(16(1024)19(25)3012)15914(23)7817(15)2621(22)28h29H1125H21H3(H2628)
MFCD01789443
ZINC000000850923
ZINC000000850924
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