Vitas-M small molecule compound

6',7'-dimethoxy-1'-(4-nitrophenyl)-2',3'-dihydro-1'H-spiro[cyclopentane-1,4'-isoquinoline]

Catalog ID
STK747409
SMILES COc1cc2C(NCC3(c2cc1OC)CCCC3)c1ccc(cc1)[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 C21H24N2O4 MW 368.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H24N2O4/c1-26-18-11-16-17(12-19(18)27-2)21(9-3-4-10-21)13-22-20(16)14-5-7-15(8-6-14)23(24)25/h5-8,11-12,20,22H,3-4,9-10,13H2,1-2H3
InChIKey
KVEIQKZBFJMKFL-UHFFFAOYSA-N
Synonyms

67DIMETHOXY1(4NITROPHENYL)23DIHYDRO1HSPIRO(CYCLOPENTANE14ISOQUINOLINE)
67dimethoxy1(4nitrophenyl)23dihydro1Hspiro(cyclopentane14isoquinoline)hydrochloride
67DIMETHOXY1(4NITROPHENYL)SPIRO(23DIHYDRO1HISOQUINOLINE41CYCLOPENTANE)
COC1=C(C=C2C(=C1)C(NCC23CCCC3)C4=CC=C(C=C4)(N+)(=O)(O))OC
COc1cc2C(NCC3(c2cc1OC)CCCC3)c1ccc(cc1)(N+)(=O)(O)
COc1cc2C(NCC3(c2cc1OC)CCCC3)c1ccc(cc1)(N+)(=O)(O)Cl
InChI=1SC21H24N2O4c12618111617(1219(18)272)21(9341021)132220(16)145715(8614)23(24)25h5811122022H3491013H212H3
MFCD00359649
ZINC000019312881
ZINC000019312884

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Available files

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