Vitas-M small molecule compound
2-methoxyethyl 6'-amino-5-bromo-5'-cyano-2'-methyl-2-oxo-1,2-dihydrospiro[indole-3,4'-pyran]-3'-carboxylate
Catalog ID
STL062196
SMILES COCCOC(=O)C1=C(C)OC(=C(C21C(=O)Nc1c2cc(Br)cc1)C#N)N
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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 C18H16BrN3O5 MW 434.25 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16BrN3O5/c1-9-14(16(23)26-6-5-25-2)18(12(8-20)15(21)27-9)11-7-10(19)3-4-13(11)22-17(18)24/h3-4,7H,5-6,21H2,1-2H3,(H,22,24)InChIKey
SZZHNNRXHJHYJL-UHFFFAOYSA-NSynonyms
445222-97-92METHOXYETHYL(3S)6AMINO5BROMO5CYANO2METHYL2OXO12DIHYDROSPIRO(INDOLE34PYRAN)3CARBOXYLATE
2methoxyethyl2amino5bromo3cyano6methyl2oxospiro(indoline34pyran)5carboxylate
2methoxyethyl6amino5bromo5cyano2methyl2oxo12dihydrospiro(indole34pyran)3carboxylate
2METHOXYETHYL6AMINO5BROMO5CYANO2METHYL2OXOSPIRO(1HINDOLE34PYRAN)3CARBOXYLATE
445222979
6AMINO5BROMO5CYANO13DIHYDRO3(2METHOXYETHOXYCARBONYL)2METHYL2OXOSPIRO(4HPYRAN43(2H)INDOLE)
CC1=C(C2(C3=C(C=CC(=C3)Br)NC2=O)C(=C(O1)N)C#N)C(=O)OCCOC
InChI=1SC18H16BrN3O5c1914(16(23)2665252)18(12(820)15(21)279)11710(19)3413(11)2217(18)24h347H5621H212H3(H2224)
MFCD02949250
ZINC000001827740
ZINC000001827741
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