Vitas-M small molecule compound
(3E)-4-[3-(4-methoxyphenyl)-5-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-1-yl]pent-3-en-2-one
Catalog ID
STK366745
SMILES COc1ccc(cc1)C1=NN(C(C1)c1cccc(c1)[N+](=O)[O-])/C(=C/C(=O)C)/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 C21H21N3O4 MW 379.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N3O4/c1-14(11-15(2)25)23-21(17-5-4-6-18(12-17)24(26)27)13-20(22-23)16-7-9-19(28-3)10-8-16/h4-12,21H,13H2,1-3H3/b14-11+InChIKey
HPNKLMMCDWJEJG-SDNWHVSQSA-NSynonyms
(3E)4(3(4METHOXYPHENYL)5(3NITROPHENYL)(2PYRAZOLINYL))PENT3EN2ONE
(3E)4(3(4methoxyphenyl)5(3nitrophenyl)45dihydro1Hpyrazol1yl)pent3en2one
(E)4(5(4METHOXYPHENYL)3(3NITROPHENYL)34DIHYDROPYRAZOL2YL)PENT3EN2ONE
CC(=CC(=O)C)N1C(CC(=N1)C2=CC=C(C=C2)OC)C3=CC(=CC=C3)(N+)(=O)(O)
COc1ccc(cc1)C1=NN(C(C1)c1cccc(c1)(N+)(=O)(O))C(=CC(=O)C)C
InChI=1SC21H21N3O4c114(1115(2)25)2321(1754618(1217)24(26)27)1320(2223)167919(283)10816h41221H13H213H3b1411+
MFCD00353033
ZINC000004579166
ZINC000004579167
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