Vitas-M small molecule compound

2-[2-(chloroacetyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]-5,5-dimethylcyclohexane-1,3-dione

Catalog ID
STL322838
SMILES ClCC(=O)N1CCc2c(C1C1C(=O)CC(CC1=O)(C)C)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 C21H26ClNO5 MW 407.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H26ClNO5/c1-21(2)9-14(24)19(15(25)10-21)20-13-8-17(28-4)16(27-3)7-12(13)5-6-23(20)18(26)11-22/h7-8,19-20H,5-6,9-11H2,1-4H3
InChIKey
SMSLURGVGRUXEA-UHFFFAOYSA-N
Synonyms
368841-05-8
2(2(2chloroacetyl)67dimethoxy1234tetrahydroisoquinolin1yl)55dimethylcyclohexane13dione
2(2(2CHLOROACETYL)67DIMETHOXY34DIHYDRO1HISOQUINOLIN1YL)55DIMETHYLCYCLOHEXANE13DIONE
2(2(chloroacetyl)67dimethoxy1234tetrahydroisoquinolin1yl)55dimethylcyclohexane13dione
368841058
CC1(CC(=O)C(C(=O)C1)C2C3=CC(=C(C=C3CCN2C(=O)CCl)OC)OC)C
InChI=1SC21H26ClNO5c121(2)914(24)19(15(25)1021)2013817(284)16(273)712(13)5623(20)18(26)1122h781920H56911H214H3
MFCD01217790
ZINC000004730491
ZINC000004730492

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Available files

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