Vitas-M small molecule compound

ethyl 6'-amino-5-chloro-5'-cyano-2'-methyl-2-oxo-1,2-dihydrospiro[indole-3,4'-pyran]-3'-carboxylate

Catalog ID
STK096835
SMILES CCOC(=O)C1=C(C)OC(=C(C21C(=O)Nc1c2cc(Cl)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 C17H14ClN3O4 MW 359.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H14ClN3O4/c1-3-24-15(22)13-8(2)25-14(20)11(7-19)17(13)10-6-9(18)4-5-12(10)21-16(17)23/h4-6H,3,20H2,1-2H3,(H,21,23)
InChIKey
MNKKRVUGBDBFAN-UHFFFAOYSA-N
Synonyms
313382-04-6
313382046
5CHLORO2OXO2METHYL5CYANO6AMINOSPIRO(INDOLINE34(4H)PYRAN)3CARBOXYLICACIDETHYLESTER
CCOC(=O)C1=C(C)OC(=C(C21C(=O)Nc1c2cc(Cl)cc1)C#N)N
CCOC(=O)C1=C(OC(=C(C12C3=C(C=CC(=C3)Cl)NC2=O)C#N)N)C
ethyl2amino5chloro3cyano6methyl2oxospiro(indoline34pyran)5carboxylate
ETHYL6AMINO11CHLORO5CYANO2METHYL8OXOSPIRO(4HPYRAN43INDOLINE)3CARBOXYLATE
ETHYL6AMINO5CHLORO5CYANO2METHYL2OXO12DIHYDROSPIRO(INDOLE34PYRAN)3CARBOXYLATE
ETHYL6AMINO5CHLORO5CYANO2METHYL2OXOSPIRO(1HINDOLE34PYRAN)3CARBOXYLATE
InChI=1SC17H14ClN3O4c132415(22)138(2)2514(20)11(719)17(13)1069(18)4512(10)2116(17)23h46H320H212H3(H2123)
MFCD00746951
STK096835
ZINC000000706125
ZINC000000706126

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.