Vitas-M small molecule compound
[4-(3-hydroxy-3-methylbut-1-yn-1-yl)phenyl][4-(4-nitrophenyl)piperazin-1-yl]methanone
Catalog ID
STK135522
SMILES O=C(c1ccc(cc1)C#CC(O)(C)C)N1CCN(CC1)c1ccc(cc1)[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 C22H23N3O4 MW 393.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23N3O4/c1-22(2,27)12-11-17-3-5-18(6-4-17)21(26)24-15-13-23(14-16-24)19-7-9-20(10-8-19)25(28)29/h3-10,27H,13-16H2,1-2H3InChIKey
OKZQFTSGJJHHIS-UHFFFAOYSA-NSynonyms
(4(3HYDROXY3METHYLBUT1YN1YL)PHENYL)(4(4NITROPHENYL)PIPERAZIN1YL)METHANONE
(4(3HYDROXY3METHYLBUT1YNYL)PHENYL)(4(4NITROPHENYL)PIPERAZIN1YL)METHANONE
2METHYL4(4((4(4NITROPHENYL)1PIPERAZINYL)CARBONYL)PHENYL)3BUTYN2OL
CC(C)(C#CC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC=C(C=C3)(N+)(=O)(O))O
InChI=1SC22H23N3O4c122(227)1211173518(6417)21(26)24151323(141624)197920(10819)25(28)29h31027H1316H212H3
MFCD01821014
O=C(c1ccc(cc1)C#CC(O)(C)C)N1CCN(CC1)c1ccc(cc1)(N+)(=O)(O)
ZINC000004498840
ZINC04498840
ZINC4498840
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