Vitas-M small molecule compound
2-[(1,3-benzodioxol-5-ylmethyl)amino]-2-oxoethyl isoquinoline-1-carboxylate
Catalog ID
STL187006
SMILES O=C(NCc1ccc2c(c1)OCO2)COC(=O)c1nccc2c1cccc2
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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 C20H16N2O5 MW 364.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16N2O5/c23-18(22-10-13-5-6-16-17(9-13)27-12-26-16)11-25-20(24)19-15-4-2-1-3-14(15)7-8-21-19/h1-9H,10-12H2,(H,22,23)InChIKey
KNBNRXJZKKFSEY-UHFFFAOYSA-NSynonyms
(2(13benzodioxol5ylmethylamino)2oxoethyl)isoquinoline1carboxylate
2((13benzodioxol5ylmethyl)amino)2oxoethylisoquinoline1carboxylate
C1OC2=C(O1)C=C(C=C2)CNC(=O)COC(=O)C3=NC=CC4=CC=CC=C43
InChI=1SC20H16N2O5c2318(221013561617(913)27122616)112520(24)1915421314(15)782119h19H1012H2(H2223)
MFCD22388013
ZINC000064875201
ZINC64875201
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