Vitas-M small molecule compound

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

Catalog ID
STL062194
SMILES COC(=O)C1=C(CC(=O)OC)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 C18H15N3O6 MW 369.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H15N3O6/c1-25-13(22)7-12-14(16(23)26-2)18(10(8-19)15(20)27-12)9-5-3-4-6-11(9)21-17(18)24/h3-6H,7,20H2,1-2H3,(H,21,24)
InChIKey
IQUQOCCVWLOEGA-UHFFFAOYSA-N
Synonyms
461431-09-4
461431094
COC(=O)CC1=C(C2(C3=CC=CC=C3NC2=O)C(=C(O1)N)C#N)C(=O)OC
InChI=1SC18H15N3O6c12513(22)71214(16(23)262)18(10(819)15(20)2712)9534611(9)2117(18)24h36H720H212H3(H2124)
METHYL(3R)6AMINO5CYANO2(2METHOXY2OXOETHYL)2OXO12DIHYDROSPIRO(INDOLE34PYRAN)3CARBOXYLATE
METHYL(3S)6AMINO5CYANO2(2METHOXY2OXOETHYL)2OXO12DIHYDROSPIRO(INDOLE34PYRAN)3CARBOXYLATE
METHYL2(6AMINO5CYANO3(METHOXYCARBONYL)8OXOSPIRO(4HPYRAN43INDOLINE)2YL)ACETATE
methyl2amino3cyano6(2methoxy2oxoethyl)2oxospiro(indoline34pyran)5carboxylate
methyl6amino5cyano2(2methoxy2oxoethyl)2oxo12dihydrospiro(indole34pyran)3carboxylate
METHYL6AMINO5CYANO2(2METHOXY2OXOETHYL)2OXOSPIRO(1HINDOLE34PYRAN)3CARBOXYLATE
MFCD02061628
ZINC000001293779
ZINC000001293780

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Available files

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