Vitas-M small molecule compound
[4-(3-bromobenzyl)piperazin-1-yl]{5-methyl-4-[(4-nitro-1H-pyrazol-1-yl)methyl]-1,2-oxazol-3-yl}methanone
Catalog ID
STL390900
SMILES Brc1cccc(c1)CN1CCN(CC1)C(=O)c1noc(c1Cn1ncc(c1)[N+](=O)[O-])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 C20H21BrN6O4 MW 489.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21BrN6O4/c1-14-18(13-26-12-17(10-22-26)27(29)30)19(23-31-14)20(28)25-7-5-24(6-8-25)11-15-3-2-4-16(21)9-15/h2-4,9-10,12H,5-8,11,13H2,1H3InChIKey
JWTMWHWRDUHUIA-UHFFFAOYSA-NSynonyms
1006996-13-9(4((3bromophenyl)methyl)piperazin1yl)(5methyl4((4nitropyrazol1yl)methyl)12oxazol3yl)methanone
(4(3bromobenzyl)piperazin1yl)(5methyl4((4nitro1Hpyrazol1yl)methyl)12oxazol3yl)methanone
1006996139
Brc1cccc(c1)CN1CCN(CC1)C(=O)c1noc(c1Cn1ncc(c1)(N+)(=O)(O))C
CC1=C(C(=NO1)C(=O)N2CCN(CC2)CC3=CC(=CC=C3)Br)CN4C=C(C=N4)(N+)(=O)(O)
InChI=1SC20H21BrN6O4c11418(13261217(102226)27(29)30)19(233114)20(28)257524(6825)111532416(21)915h2491012H581113H21H3
MFCD08554259
ZINC000022747131
ZINC22747131
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