Vitas-M small molecule compound
[4-(2-methylquinolin-4-yl)piperazin-1-yl][3-nitro-4-(pyrrolidin-1-yl)phenyl]methanone
Catalog ID
STK198681
SMILES Cc1cc(N2CCN(CC2)C(=O)c2ccc(c(c2)[N+](=O)[O-])N2CCCC2)c2c(n1)cccc2
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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 C25H27N5O3 MW 445.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27N5O3/c1-18-16-23(20-6-2-3-7-21(20)26-18)28-12-14-29(15-13-28)25(31)19-8-9-22(24(17-19)30(32)33)27-10-4-5-11-27/h2-3,6-9,16-17H,4-5,10-15H2,1H3InChIKey
WRYXTJPMOVOXGR-UHFFFAOYSA-NSynonyms
(4(2METHYLQUINOLIN4YL)PIPERAZIN1YL)(3NITRO4(PYRROLIDIN1YL)PHENYL)METHANONE
(4(2methylquinolin4yl)piperazin1yl)(3nitro4pyrrolidin1ylphenyl)methanone
CC1=NC2=CC=CC=C2C(=C1)N3CCN(CC3)C(=O)C4=CC(=C(C=C4)N5CCCC5)(N+)(=O)(O)
Cc1cc(N2CCN(CC2)C(=O)c2ccc(c(c2)(N+)(=O)(O))N2CCCC2)c2c(n1)cccc2
InChI=1SC25H27N5O3c1181623(20623721(20)2618)28121429(151328)25(31)198922(24(1719)30(32)33)2710451127h23691617H451015H21H3
MFCD06666104
ZINC000009934628
ZINC9934628
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