Vitas-M small molecule compound

methyl 3-[(3,4-dihydroisoquinolin-2(1H)-ylacetyl)amino]-5,6-dimethoxy-1H-indole-2-carboxylate

Catalog ID
STK540105
SMILES COC(=O)c1[nH]c2c(c1NC(=O)CN1CCc3c(C1)cccc3)cc(c(c2)OC)OC

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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 C23H25N3O5 MW 423.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H25N3O5/c1-29-18-10-16-17(11-19(18)30-2)24-22(23(28)31-3)21(16)25-20(27)13-26-9-8-14-6-4-5-7-15(14)12-26/h4-7,10-11,24H,8-9,12-13H2,1-3H3,(H,25,27)
InChIKey
RFRVNSROEZNDLE-UHFFFAOYSA-N
Synonyms
385393-39-5
385393395
COC(=O)c1(nH)c2c(c1NC(=O)CN1CCc3c(C1)cccc3)cc(c(c2)OC)OC
COC1=C(C=C2C(=C1)C(=C(N2)C(=O)OC)NC(=O)CN3CCC4=CC=CC=C4C3)OC
InChI=1SC23H25N3O5c12918101617(1119(18)302)2422(23(28)313)21(16)2520(27)13269814645715(14)1226h47101124H891213H213H3(H2527)
METHYL3((2(34DIHYDRO1HISOQUINOLIN2YL)ACETYL)AMINO)56DIMETHOXY1HINDOLE2CARBOXYLATE
methyl3((34dihydroisoquinolin2(1H)ylacetyl)amino)56dimethoxy1Hindole2carboxylate
methyl3(2(34dihydroisoquinolin2(1H)yl)acetamido)56dimethoxy1Hindole2carboxylate
MFCD03285831
ZINC000035999986
ZINC35999986

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Available files

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