Vitas-M small molecule compound

methyl 3-[(3,4-dihydroisoquinolin-2(1H)-ylacetyl)amino]-1H-indole-2-carboxylate

Catalog ID
STK540777
SMILES COC(=O)c1[nH]c2c(c1NC(=O)CN1CCc3c(C1)cccc3)cccc2

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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 C21H21N3O3 MW 363.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N3O3/c1-27-21(26)20-19(16-8-4-5-9-17(16)22-20)23-18(25)13-24-11-10-14-6-2-3-7-15(14)12-24/h2-9,22H,10-13H2,1H3,(H,23,25)
InChIKey
MVNPDQVWQATKSK-UHFFFAOYSA-N
Synonyms
384375-25-1
384375251
COC(=O)c1(nH)c2c(c1NC(=O)CN1CCc3c(C1)cccc3)cccc2
COC(=O)C1=C(C2=CC=CC=C2N1)NC(=O)CN3CCC4=CC=CC=C4C3
InChI=1SC21H21N3O3c12721(26)2019(16845917(16)2220)2318(25)1324111014623715(14)1224h2922H1013H21H3(H2325)
METHYL3((2(34DIHYDRO1HISOQUINOLIN2YL)ACETYL)AMINO)1HINDOLE2CARBOXYLATE
methyl3((34dihydroisoquinolin2(1H)ylacetyl)amino)1Hindole2carboxylate
methyl3(2(34dihydroisoquinolin2(1H)yl)acetamido)1Hindole2carboxylate
MFCD01561123
ZINC000035999975
ZINC35999975

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Available files

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