Vitas-M small molecule compound

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

Catalog ID
STL015940
SMILES CCOC(=O)C1=C(CC(=O)OCC)OC(=C(C21c1ccccc1N(C2=O)C)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 C21H21N3O6 MW 411.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N3O6/c1-4-28-16(25)10-15-17(19(26)29-5-2)21(13(11-22)18(23)30-15)12-8-6-7-9-14(12)24(3)20(21)27/h6-9H,4-5,10,23H2,1-3H3
InChIKey
CNYLKWLLUTWCGR-UHFFFAOYSA-N
Synonyms
497942-15-1
497942151
CCOC(=O)CC1=C(C2(C3=CC=CC=C3N(C2=O)C)C(=C(O1)N)C#N)C(=O)OCC
ETHYL(3R)6AMINO5CYANO2(2ETHOXY2OXOETHYL)1METHYL2OXO12DIHYDROSPIRO(INDOLE34PYRAN)3CARBOXYLATE
ETHYL(3S)6AMINO5CYANO2(2ETHOXY2OXOETHYL)1METHYL2OXO12DIHYDROSPIRO(INDOLE34PYRAN)3CARBOXYLATE
ETHYL2(6AMINO5CYANO3(ETHOXYCARBONYL)7METHYL8OXOSPIRO(4HPYRAN43INDOLINE)2YL)ACETATE
ethyl2amino3cyano6(2ethoxy2oxoethyl)1methyl2oxospiro(indoline34pyran)5carboxylate
ethyl6amino5cyano2(2ethoxy2oxoethyl)1methyl2oxo12dihydrospiro(indole34pyran)3carboxylate
ETHYL6AMINO5CYANO2(2ETHOXY2OXOETHYL)1METHYL2OXOSPIRO(INDOLE34PYRAN)3CARBOXYLATE
InChI=1SC21H21N3O6c142816(25)101517(19(26)2952)21(13(1122)18(23)3015)12867914(12)24(3)20(21)27h69H451023H213H3
MFCD03301367
ZINC000001303920
ZINC000001303921

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Available files

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