Vitas-M small molecule compound

methyl 3-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)propanoyl]amino}-4-methoxy-1H-indole-2-carboxylate

Catalog ID
STL349222
SMILES COC(=O)c1[nH]c2c(c1NC(=O)C(N1CCc3c(C1)cccc3)C)c(OC)ccc2

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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 C23H25N3O4 MW 407.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H25N3O4/c1-14(26-12-11-15-7-4-5-8-16(15)13-26)22(27)25-20-19-17(9-6-10-18(19)29-2)24-21(20)23(28)30-3/h4-10,14,24H,11-13H2,1-3H3,(H,25,27)
InChIKey
ZEBNQWBYTDNARX-UHFFFAOYSA-N
Synonyms
877789-39-4
877789394
CC(C(=O)NC1=C(NC2=C1C(=CC=C2)OC)C(=O)OC)N3CCC4=CC=CC=C4C3
COC(=O)c1(nH)c2c(c1NC(=O)C(N1CCc3c(C1)cccc3)C)c(OC)ccc2
InChI=1SC23H25N3O4c114(26121115745816(15)1326)22(27)25201917(961018(19)292)2421(20)23(28)303h4101424H1113H213H3(H2527)
methyl3((2(34dihydroisoquinolin2(1H)yl)propanoyl)amino)4methoxy1Hindole2carboxylate
METHYL3(2(34DIHYDRO1HISOQUINOLIN2YL)PROPANOYLAMINO)4METHOXY1HINDOLE2CARBOXYLATE
methyl3(2(34dihydroisoquinolin2(1H)yl)propanamido)4methoxy1Hindole2carboxylate
MFCD05701920
ZINC000005562672
ZINC000005562675

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Available files

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