Vitas-M small molecule compound
6',7'-dimethoxy-1'-(3-nitrophenyl)-3'H-spiro[cyclopentane-1,4'-isoquinoline]
Catalog ID
STL332703
SMILES COc1cc2c(cc1OC)C(=NCC12CCCC1)c1cccc(c1)[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 C21H22N2O4 MW 366.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N2O4/c1-26-18-11-16-17(12-19(18)27-2)21(8-3-4-9-21)13-22-20(16)14-6-5-7-15(10-14)23(24)25/h5-7,10-12H,3-4,8-9,13H2,1-2H3InChIKey
BUNUBBKGLQNODP-UHFFFAOYSA-NSynonyms
331463-60-6331463606
67dimethoxy1(3nitrophenyl)3Hspiro(cyclopentane14isoquinoline)
67DIMETHOXY1(3NITROPHENYL)SPIRO(34DIHYDROISOQUINOLINE41CYCLOPENTANE)
67DIMETHOXY1(3NITROPHENYL)SPIRO(3HISOQUINOLINE41CYCLOPENTANE)
COC1=C(C=C2C(=C1)C(=NCC23CCCC3)C4=CC(=CC=C4)(N+)(=O)(O))OC
COc1cc2c(cc1OC)C(=NCC12CCCC1)c1cccc(c1)(N+)(=O)(O)
InChI=1SC21H22N2O4c12618111617(1219(18)272)21(834921)132220(16)1465715(1014)23(24)25h571012H348913H212H3
MFCD00359645
ZINC000000820030
ZINC820030
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