Vitas-M small molecule compound
[3-(4-methoxyphenyl)-5-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-1-yl](tricyclo[3.3.1.1~3,7~]dec-1-yl)methanone
Catalog ID
STK862188
SMILES COc1ccc(cc1)C1=NN(C(C1)c1cccc(c1)[N+](=O)[O-])C(=O)C12CC3CC(C2)CC(C1)C3
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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 C27H29N3O4 MW 459.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29N3O4/c1-34-23-7-5-20(6-8-23)24-13-25(21-3-2-4-22(12-21)30(32)33)29(28-24)26(31)27-14-17-9-18(15-27)11-19(10-17)16-27/h2-8,12,17-19,25H,9-11,13-16H2,1H3InChIKey
XGRSCRROXLPISY-UHFFFAOYSA-NSynonyms
(3(4methoxyphenyl)5(3nitrophenyl)45dihydro1Hpyrazol1yl)(tricyclo(3311~37~)dec1yl)methanone
(3r5r7r)adamantan1yl(3(4methoxyphenyl)5(3nitrophenyl)45dihydro1Hpyrazol1yl)methanone
1(ADAMANTAN1YLCARBONYL)3(4METHOXYPHENYL)5(3NITROPHENYL)45DIHYDRO1HPYRAZOLE
1ADAMANTYL(5(4METHOXYPHENYL)3(3NITROPHENYL)34DIHYDROPYRAZOL2YL)METHANONE
ADAMANTANYL3(4METHOXYPHENYL)5(3NITROPHENYL)(2PYRAZOLINYL)KETONE
COC1=CC=C(C=C1)C2=NN(C(C2)C3=CC(=CC=C3)(N+)(=O)(O))C(=O)C45CC6CC(C4)CC(C6)C5
COc1ccc(cc1)C1=NN(C(C1)c1cccc(c1)(N+)(=O)(O))C(=O)C12CC3CC(C2)CC(C1)C3
InChI=1SC27H29N3O4c134237520(6823)241325(2132422(1221)30(32)33)29(2824)26(31)271417918(1527)1119(1017)1627h2812171925H9111316H21H3
MFCD01839646
ZINC000006924901
ZINC000006924937
Check stock
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Check stock on Vitas-MAvailable files
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