Vitas-M small molecule compound

methyl 2-(3,5-dichloro-2-methoxyphenyl)-4-hydroxy-4-methyl-1-nitro-3,4,6,7,8,9-hexahydro-2H-quinolizine-3-carboxylate

Catalog ID
STK371366
SMILES COC(=O)C1C(c2cc(Cl)cc(c2OC)Cl)C(=C2N(C1(C)O)CCCC2)[N+](=O)[O-]

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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 C19H22Cl2N2O6 MW 445.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H22Cl2N2O6/c1-19(25)15(18(24)29-3)14(11-8-10(20)9-12(21)17(11)28-2)16(23(26)27)13-6-4-5-7-22(13)19/h8-9,14-15,25H,4-7H2,1-3H3
InChIKey
RXVZXHIEEBHUIS-UHFFFAOYSA-N
Synonyms

CC1(C(C(C(=C2N1CCCC2)(N+)(=O)(O))C3=CC(=CC(=C3OC)Cl)Cl)C(=O)OC)O
COC(=O)C1C(c2cc(Cl)cc(c2OC)Cl)C(=C2N(C1(C)O)CCCC2)(N+)(=O)(O)
InChI=1SC19H22Cl2N2O6c119(25)15(18(24)293)14(11810(20)912(21)17(11)282)16(23(26)27)13645722(13)19h89141525H47H213H3
methyl2(35dichloro2methoxyphenyl)4hydroxy4methyl1nitro236789hexahydroquinolizine3carboxylate
methyl2(35dichloro2methoxyphenyl)4hydroxy4methyl1nitro346789hexahydro2Hquinolizine3carboxylate
MFCD00336091
ZINC000004065769
ZINC000239203194

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Available files

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