Vitas-M small molecule compound

(4-tert-butylphenyl){4-[3-(3,4-dihydroisoquinolin-2(1H)-yl)-4-nitrophenyl]piperazin-1-yl}methanone

Catalog ID
STK157731
SMILES [O-][N+](=O)c1ccc(cc1N1CCc2c(C1)cccc2)N1CCN(CC1)C(=O)c1ccc(cc1)C(C)(C)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 C30H34N4O3 MW 498.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H34N4O3/c1-30(2,3)25-10-8-23(9-11-25)29(35)32-18-16-31(17-19-32)26-12-13-27(34(36)37)28(20-26)33-15-14-22-6-4-5-7-24(22)21-33/h4-13,20H,14-19,21H2,1-3H3
InChIKey
ZBAWBHMXEZZAGU-UHFFFAOYSA-N
Synonyms
591736-12-8
(4(tertbutyl)phenyl)(4(3(34dihydroisoquinolin2(1H)yl)4nitrophenyl)piperazin1yl)methanone
(4TERTBUTYLPHENYL)(4(3(34DIHYDRO1HISOQUINOLIN2YL)4NITROPHENYL)PIPERAZIN1YL)METHANONE
(4TERTBUTYLPHENYL)(4(3(34DIHYDROISOQUINOLIN2(1H)YL)4NITROPHENYL)PIPERAZIN1YL)METHANONE
(O)(N+)(=O)c1ccc(cc1N1CCc2c(C1)cccc2)N1CCN(CC1)C(=O)c1ccc(cc1)C(C)(C)C
591736128
CC(C)(C)C1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC(=C(C=C3)(N+)(=O)(O))N4CCC5=CC=CC=C5C4
InChI=1SC30H34N4O3c130(23)2510823(91125)29(35)32181631(171932)26121327(34(36)37)28(2026)33151422645724(22)2133h41320H141921H213H3
MFCD03686648
ZINC000008818270
ZINC08818270
ZINC8818270

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.