Vitas-M small molecule compound
3-(3-methoxy-4-nitro-1H-pyrazol-1-yl)-1-{4-[3-(trifluoromethyl)benzyl]piperazin-1-yl}propan-1-one
Catalog ID
STL399890
SMILES COc1nn(cc1[N+](=O)[O-])CCC(=O)N1CCN(CC1)Cc1cccc(c1)C(F)(F)F
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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 C19H22F3N5O4 MW 441.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H22F3N5O4/c1-31-18-16(27(29)30)13-26(23-18)6-5-17(28)25-9-7-24(8-10-25)12-14-3-2-4-15(11-14)19(20,21)22/h2-4,11,13H,5-10,12H2,1H3InChIKey
ZOCFBZDGGSJXFX-UHFFFAOYSA-NSynonyms
1005569-61-81005569618
3(3METHOXY4NITRO1HPYRAZOL1YL)1(4(3(TRIFLUOROMETHYL)BENZYL)PIPERAZIN1YL)PROPAN1ONE
3(3methoxy4nitropyrazol1yl)1(4((3(trifluoromethyl)phenyl)methyl)piperazin1yl)propan1one
COC1=NN(C=C1(N+)(=O)(O))CCC(=O)N2CCN(CC2)CC3=CC(=CC=C3)C(F)(F)F
COc1nn(cc1(N+)(=O)(O))CCC(=O)N1CCN(CC1)Cc1cccc(c1)C(F)(F)F
InChI=1SC19H22F3N5O4c1311816(27(29)30)1326(2318)6517(28)259724(81025)121432415(1114)19(2021)22h241113H51012H21H3
MFCD04135967
ZINC000019633451
ZINC19633451
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