Vitas-M small molecule compound
{4-[3-(benzylamino)-4-nitrophenyl]piperazin-1-yl}(4-propoxyphenyl)methanone
Catalog ID
STK205894
SMILES CCCOc1ccc(cc1)C(=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 C27H30N4O4 MW 474.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H30N4O4/c1-2-18-35-24-11-8-22(9-12-24)27(32)30-16-14-29(15-17-30)23-10-13-26(31(33)34)25(19-23)28-20-21-6-4-3-5-7-21/h3-13,19,28H,2,14-18,20H2,1H3InChIKey
STCKKUSVAJXTHX-UHFFFAOYSA-NSynonyms
(4(3(BENZYLAMINO)4NITROPHENYL)PIPERAZIN1YL)(4PROPOXYPHENYL)METHANONE
CCCOC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC(=C(C=C3)(N+)(=O)(O))NCC4=CC=CC=C4
CCCOc1ccc(cc1)C(=O)N1CCN(CC1)c1ccc(c(c1)NCc1ccccc1)(N+)(=O)(O)
InChI=1SC27H30N4O4c1218352411822(91224)27(32)30161429(151730)23101326(31(33)34)25(1923)2820216435721h3131928H2141820H21H3
MFCD05838564
ZINC000009971691
ZINC09971691
ZINC9971691
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