Vitas-M small molecule compound
5-(3-ethyl-3-methyl-3,4-dihydroisoquinolin-1-yl)-2,3-bis(4-methylphenyl)-2H-tetrazol-3-ium
Catalog ID
STL043264
SMILES CCC1(C)Cc2ccccc2C(=N1)c1n[n+](n(n1)c1ccc(cc1)C)c1ccc(cc1)C
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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 C27H28N5 MW 422.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28N5/c1-5-27(4)18-21-8-6-7-9-24(21)25(28-27)26-29-31(22-14-10-19(2)11-15-22)32(30-26)23-16-12-20(3)13-17-23/h6-17H,5,18H2,1-4H3/q+1InChIKey
OFODZNPZZDFYLZ-UHFFFAOYSA-NSynonyms
(O)(Cl)(=O)(=O)=OCCC1(C)Cc2ccccc2C(=N1)c1n(n+)(n(n1)c1ccc(cc1)C)c1ccc(cc1)C
1(23BIS(4METHYLPHENYL)TETRAZOL2IUM5YL)3ETHYL3METHYL4HISOQUINOLINE
5(3ethyl3methyl34dihydroisoquinolin1yl)23bis(4methylphenyl)2Htetrazol3ium
5(3ethyl3methyl34dihydroisoquinolin1yl)23diptolyl2Htetrazol3iumperchlorate
CCC1(C)Cc2ccccc2C(=N1)c1n(n+)(n(n1)c1ccc(cc1)C)c1ccc(cc1)C
CCC1(CC2=CC=CC=C2C(=N1)C3=NN((N+)(=N3)C4=CC=C(C=C4)C)C5=CC=C(C=C5)C)C
InChI=1SC27H28N5c1527(4)1821867924(21)25(2827)262931(22141019(2)111522)32(3026)23161220(3)131723h617H518H214H3q+1
ZINC000004860773
ZINC000004860775
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