Vitas-M small molecule compound

methyl 1-{2-[(1,3-benzodioxol-5-ylmethyl)amino]-2-oxoethyl}-1H-indole-3-carboxylate

Catalog ID
STL431642
SMILES COC(=O)c1cn(c2c1cccc2)CC(=O)NCc1ccc2c(c1)OCO2

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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 C20H18N2O5 MW 366.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18N2O5/c1-25-20(24)15-10-22(16-5-3-2-4-14(15)16)11-19(23)21-9-13-6-7-17-18(8-13)27-12-26-17/h2-8,10H,9,11-12H2,1H3,(H,21,23)
InChIKey
BSBDVTGFKJCXGQ-UHFFFAOYSA-N
Synonyms

COC(=O)C1=CN(C2=CC=CC=C21)CC(=O)NCC3=CC4=C(C=C3)OCO4
InChI=1SC20H18N2O5c12520(24)151022(16532414(15)16)1119(23)21913671718(813)27122617h2810H91112H21H3(H2123)
METHYL1((N(2HBENZO(34D)13DIOXOLEN5YLMETHYL)CARBAMOYL)METHYL)INDOLE3CARBOXYLATE
methyl1(2((13benzodioxol5ylmethyl)amino)2oxoethyl)1Hindole3carboxylate
METHYL1(2(13BENZODIOXOL5YLMETHYLAMINO)2OXOETHYL)INDOLE3CARBOXYLATE
MFCD03928927
ZINC000000807268
ZINC00807268
ZINC807268

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Available files

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