Vitas-M small molecule compound

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

Catalog ID
STK729822
SMILES CCN1c2ccccc2C2(C1=O)C(=C(C)OC(=C2C#N)N)C(=O)OCc1ccccc1

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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 C24H21N3O4 MW 415.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H21N3O4/c1-3-27-19-12-8-7-11-17(19)24(23(27)29)18(13-25)21(26)31-15(2)20(24)22(28)30-14-16-9-5-4-6-10-16/h4-12H,3,14,26H2,1-2H3
InChIKey
CWBIWZMTXNNOIX-UHFFFAOYSA-N
Synonyms

benzyl6amino5cyano1ethyl2methyl2oxo12dihydrospiro(indole34pyran)3carboxylate
BENZYL6AMINO5CYANO1ETHYL2METHYL2OXOSPIRO(INDOLE34PYRAN)3CARBOXYLATE
CCN1C2=CC=CC=C2C3(C1=O)C(=C(OC(=C3C(=O)OCC4=CC=CC=C4)C)N)C#N
InChI=1SC24H21N3O4c13271912871117(19)24(23(27)29)18(1325)21(26)3115(2)20(24)22(28)30141695461016h412H31426H212H3
MFCD06618262
ZINC000004751285
ZINC000004751286

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Available files

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