Vitas-M small molecule compound
methyl 6'-amino-5'-cyano-2'-methyl-2-oxo-1,2-dihydrospiro[indole-3,4'-pyran]-3'-carboxylate
Catalog ID
STK790803
SMILES COC(=O)C1=C(C)OC(=C(C21C(=O)Nc1c2cccc1)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 C16H13N3O4 MW 311.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H13N3O4/c1-8-12(14(20)22-2)16(10(7-17)13(18)23-8)9-5-3-4-6-11(9)19-15(16)21/h3-6H,18H2,1-2H3,(H,19,21)InChIKey
VAFPLRVGDUHTRR-UHFFFAOYSA-NSynonyms
(S)methyl2amino3cyano6methyl2oxospiro(indoline34pyran)5carboxylate
CC1=C(C2(C3=CC=CC=C3NC2=O)C(=C(O1)N)C#N)C(=O)OC
COC(=O)C1=C(C)OC(=C((C@@)21C(=O)Nc1c2cccc1)C#N)N
InChI=1SC16H13N3O4c1812(14(20)222)16(10(717)13(18)238)9534611(9)1915(16)21h36H18H212H3(H1921)
methyl6amino5cyano2methyl2oxo12dihydrospiro(indole34pyran)3carboxylate
METHYL6AMINO5CYANO2METHYL2OXOSPIRO(1HINDOLE34PYRAN)3CARBOXYLATE
MFCD00743925
ZINC000000050141
ZINC000000050142
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