Vitas-M small molecule compound

{4-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-4-nitrophenyl]piperazin-1-yl}[4-(propan-2-yloxy)phenyl]methanone

Catalog ID
STK172393
SMILES CC(Oc1ccc(cc1)C(=O)N1CCN(CC1)c1ccc(c(c1)n1nc(cc1C)C)[N+](=O)[O-])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 C25H29N5O4 MW 463.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H29N5O4/c1-17(2)34-22-8-5-20(6-9-22)25(31)28-13-11-27(12-14-28)21-7-10-23(30(32)33)24(16-21)29-19(4)15-18(3)26-29/h5-10,15-17H,11-14H2,1-4H3
InChIKey
KYRWWACZRZTNMG-UHFFFAOYSA-N
Synonyms

(4(3(35DIMETHYL1HPYRAZOL1YL)4NITROPHENYL)PIPERAZIN1YL)(4(PROPAN2YLOXY)PHENYL)METHANONE
(4(3(35DIMETHYLPYRAZOL1YL)4NITROPHENYL)PIPERAZIN1YL)(4PROPAN2YLOXYPHENYL)METHANONE
CC(Oc1ccc(cc1)C(=O)N1CCN(CC1)c1ccc(c(c1)n1nc(cc1C)C)(N+)(=O)(O))C
CC1=CC(=NN1C2=C(C=CC(=C2)N3CCN(CC3)C(=O)C4=CC=C(C=C4)OC(C)C)(N+)(=O)(O))C
InChI=1SC25H29N5O4c117(2)34228520(6922)25(31)28131127(121428)2171023(30(32)33)24(1621)2919(4)1518(3)2629h5101517H1114H214H3
MFCD04218699
ZINC000009891980
ZINC09891980
ZINC9891980

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.