Vitas-M small molecule compound

methyl 2-{2-[(4-chlorophenyl)amino]-2-oxoethyl}-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylate

Catalog ID
STK687694
SMILES COC(=O)C1Cc2cc(OC)c(cc2CN1CC(=O)Nc1ccc(cc1)Cl)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 C21H23ClN2O5 MW 418.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23ClN2O5/c1-27-18-9-13-8-17(21(26)29-3)24(11-14(13)10-19(18)28-2)12-20(25)23-16-6-4-15(22)5-7-16/h4-7,9-10,17H,8,11-12H2,1-3H3,(H,23,25)
InChIKey
GALWTVICTWBQDG-UHFFFAOYSA-N
Synonyms

COC1=C(C=C2CN(C(CC2=C1)C(=O)OC)CC(=O)NC3=CC=C(C=C3)Cl)OC
InChI=1SC21H23ClN2O5c12718913817(21(26)293)24(1114(13)1019(18)282)1220(25)23166415(22)5716h4791017H81112H213H3(H2325)
methyl2(2((4chlorophenyl)amino)2oxoethyl)67dimethoxy1234tetrahydroisoquinoline3carboxylate
METHYL2(2(4CHLOROANILINO)2OXOETHYL)67DIMETHOXY34DIHYDRO1HISOQUINOLINE3CARBOXYLATE
MFCD06619481
ZINC000035146732
ZINC000036044294

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Available files

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