Vitas-M small molecule compound
{4-[3-(benzylamino)-4-nitrophenyl]piperazin-1-yl}(2-methoxy-3-methylphenyl)methanone
Catalog ID
STK154787
SMILES COc1c(C)cccc1C(=O)N1CCN(CC1)c1ccc(c(c1)NCc1ccccc1)[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 C26H28N4O4 MW 460.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H28N4O4/c1-19-7-6-10-22(25(19)34-2)26(31)29-15-13-28(14-16-29)21-11-12-24(30(32)33)23(17-21)27-18-20-8-4-3-5-9-20/h3-12,17,27H,13-16,18H2,1-2H3InChIKey
FWFTXPGIXKYRQJ-UHFFFAOYSA-NSynonyms
597545-66-9(4(3(BENZYLAMINO)4NITROPHENYL)PIPERAZIN1YL)(2METHOXY3METHYLPHENYL)METHANONE
597545669
CC1=CC=CC(=C1OC)C(=O)N2CCN(CC2)C3=CC(=C(C=C3)(N+)(=O)(O))NCC4=CC=CC=C4
COc1c(C)cccc1C(=O)N1CCN(CC1)c1ccc(c(c1)NCc1ccccc1)(N+)(=O)(O)
InChI=1SC26H28N4O4c119761022(25(19)342)26(31)29151328(141629)21111224(30(32)33)23(1721)2718208435920h3121727H131618H212H3
MFCD03923673
ZINC000009312449
ZINC09312449
ZINC9312449
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