Vitas-M small molecule compound
2,2-dimethyl-1-{4-[4-nitro-3-(pyrrolidin-1-yl)phenyl]piperazin-1-yl}propan-1-one
Catalog ID
STK118547
SMILES O=C(C(C)(C)C)N1CCN(CC1)c1ccc(c(c1)N1CCCC1)[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 C19H28N4O3 MW 360.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H28N4O3/c1-19(2,3)18(24)22-12-10-20(11-13-22)15-6-7-16(23(25)26)17(14-15)21-8-4-5-9-21/h6-7,14H,4-5,8-13H2,1-3H3InChIKey
PASZSDQGEOLWDO-UHFFFAOYSA-NSynonyms
22DIMETHYL1(4(4NITRO3(PYRROLIDIN1YL)PHENYL)PIPERAZIN1YL)PROPAN1ONE
22DIMETHYL1(4(4NITRO3PYRROLIDIN1YLPHENYL)PIPERAZIN1YL)PROPAN1ONE
CC(C)(C)C(=O)N1CCN(CC1)C2=CC(=C(C=C2)(N+)(=O)(O))N3CCCC3
InChI=1SC19H28N4O3c119(23)18(24)22121020(111322)156716(23(25)26)17(1415)21845921h6714H45813H213H3
MFCD04080479
O=C(C(C)(C)C)N1CCN(CC1)c1ccc(c(c1)N1CCCC1)(N+)(=O)(O)
ZINC000004676002
ZINC04676002
ZINC4676002
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