Vitas-M small molecule compound
(2-methylphenyl)[4-(4-nitro-3-{4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl}phenyl)piperazin-1-yl]methanone
Catalog ID
STK147713
SMILES [O-][N+](=O)c1ccc(cc1N1CCN(CC1)c1ccc(cc1[N+](=O)[O-])C(F)(F)F)N1CCN(CC1)C(=O)c1ccccc1C
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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 C29H29F3N6O5 MW 598.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H29F3N6O5/c1-20-4-2-3-5-23(20)28(39)36-16-10-33(11-17-36)22-7-9-25(37(40)41)26(19-22)35-14-12-34(13-15-35)24-8-6-21(29(30,31)32)18-27(24)38(42)43/h2-9,18-19H,10-17H2,1H3InChIKey
HKNGFCDSSXGQNA-UHFFFAOYSA-NSynonyms
(2METHYLPHENYL)(4(4NITRO3(4(2NITRO4(TRIFLUOROMETHYL)PHENYL)PIPERAZIN1YL)PHENYL)PIPERAZIN1YL)METHANONE
(O)(N+)(=O)c1ccc(cc1N1CCN(CC1)c1ccc(cc1(N+)(=O)(O))C(F)(F)F)N1CCN(CC1)C(=O)c1ccccc1C
CC1=CC=CC=C1C(=O)N2CCN(CC2)C3=CC(=C(C=C3)(N+)(=O)(O))N4CCN(CC4)C5=C(C=C(C=C5)C(F)(F)F)(N+)(=O)(O)
InChI=1SC29H29F3N6O5c120423523(20)28(39)36161033(111736)227925(37(40)41)26(1922)35141234(131535)248621(29(3031)32)1827(24)38(42)43h291819H1017H21H3
MFCD03031325
ZINC000100257321
ZINC100257321
Check stock
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Check stock on Vitas-MAvailable files
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