Vitas-M small molecule compound
{4-[(4-bromo-3-nitro-1H-pyrazol-1-yl)methyl]phenyl}(3,4-dihydroquinolin-1(2H)-yl)methanone
Catalog ID
STL398701
SMILES O=C(N1CCCc2c1cccc2)c1ccc(cc1)Cn1nc(c(c1)Br)[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 C20H17BrN4O3 MW 441.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17BrN4O3/c21-17-13-23(22-19(17)25(27)28)12-14-7-9-16(10-8-14)20(26)24-11-3-5-15-4-1-2-6-18(15)24/h1-2,4,6-10,13H,3,5,11-12H2InChIKey
QSEYULBELMJUAO-UHFFFAOYSA-NSynonyms
492423-77-5(4((4BROMO3NITRO1HPYRAZOL1YL)METHYL)PHENYL)(34DIHYDROQUINOLIN1(2H)YL)METHANONE
(4((4BROMO3NITROPYRAZOL1YL)METHYL)PHENYL)(34DIHYDRO2HQUINOLIN1YL)METHANONE
492423775
C1CC2=CC=CC=C2N(C1)C(=O)C3=CC=C(C=C3)CN4C=C(C(=N4)(N+)(=O)(O))Br
InChI=1SC20H17BrN4O3c21171323(2219(17)25(27)28)12147916(10814)20(26)24113515412618(15)24h12461013H351112H2
MFCD03073150
O=C(N1CCCc2c1cccc2)c1ccc(cc1)Cn1nc(c(c1)Br)(N+)(=O)(O)
ZINC000002763367
ZINC02763367
ZINC2763367
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