Vitas-M small molecule compound

[2-methyl-4-(3-nitrophenyl)-1,4-dihydropyrimido[1,2-a]benzimidazol-3-yl](4-phenylpiperazin-1-yl)methanone

Catalog ID
STK225051
SMILES CC1=C(C(=O)N2CCN(CC2)c2ccccc2)C(n2c(N1)nc1c2cccc1)c1cccc(c1)[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 C28H26N6O3 MW 494.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H26N6O3/c1-19-25(27(35)32-16-14-31(15-17-32)21-9-3-2-4-10-21)26(20-8-7-11-22(18-20)34(36)37)33-24-13-6-5-12-23(24)30-28(33)29-19/h2-13,18,26H,14-17H2,1H3,(H,29,30)
InChIKey
QLNQEFYNVAPPKE-UHFFFAOYSA-N
Synonyms

(2METHYL4(3NITROPHENYL)14DIHYDROPYRIMIDO(12A)BENZIMIDAZOL3YL)(4PHENYLPIPERAZIN1YL)METHANONE
2METHYL4(3NITROPHENYL)(145TRIHYDROPYRIMIDINO(12A)BENZIMIDAZOL3YL)4PHENYLPIPERAZINYLKETONE
CC1=C(C(=O)N2CCN(CC2)c2ccccc2)C(n2c(N1)nc1c2cccc1)c1cccc(c1)(N+)(=O)(O)
CC1=C(C(N2C3=CC=CC=C3N=C2N1)C4=CC(=CC=C4)(N+)(=O)(O))C(=O)N5CCN(CC5)C6=CC=CC=C6
InChI=1SC28H26N6O3c11925(27(35)32161431(151732)2193241021)26(20871122(1820)34(36)37)332413651223(24)3028(33)2919h2131826H1417H21H3(H2930)
MFCD06754917
ZINC000009288217
ZINC000009288220

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Available files

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