Vitas-M small molecule compound

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

Catalog ID
STK595355
SMILES CCOC(=O)C1=C(C)OC(=C(C21c1ccccc1N(C2=O)Cc1ccccc1Cl)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 C24H20ClN3O4 MW 449.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H20ClN3O4/c1-3-31-22(29)20-14(2)32-21(27)17(12-26)24(20)16-9-5-7-11-19(16)28(23(24)30)13-15-8-4-6-10-18(15)25/h4-11H,3,13,27H2,1-2H3
InChIKey
YWMNRXTWBLXLNF-UHFFFAOYSA-N
Synonyms
891460-00-7
891460007
CCOC(=O)C1=C(OC(=C(C12C3=CC=CC=C3N(C2=O)CC4=CC=CC=C4Cl)C#N)N)C
ETHYL(3S)6AMINO1(2CHLOROBENZYL)5CYANO2METHYL2OXO12DIHYDROSPIRO(INDOLE34PYRAN)3CARBOXYLATE
ethyl2amino1(2chlorobenzyl)3cyano6methyl2oxospiro(indoline34pyran)5carboxylate
ETHYL6AMINO1((2CHLOROPHENYL)METHYL)5CYANO2METHYL2OXOSPIRO(INDOLE34PYRAN)3CARBOXYLATE
ethyl6amino1(2chlorobenzyl)5cyano2methyl2oxo12dihydrospiro(indole34pyran)3carboxylate
InChI=1SC24H20ClN3O4c133122(29)2014(2)3221(27)17(1226)24(20)169571119(16)28(23(24)30)13158461018(15)25h411H31327H212H3
MFCD06597048
ZINC000002206583
ZINC000002206585

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Available files

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