Vitas-M small molecule compound
2-methyl-1-[4-(4-nitro-3-{4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl}phenyl)piperazin-1-yl]propan-1-one
Catalog ID
STK047238
SMILES O=C(N1CCN(CC1)c1ccc(c(c1)N1CCN(CC1)c1ccc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])C(C)C
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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 C25H29F3N6O5 MW 550.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H29F3N6O5/c1-17(2)24(35)32-13-7-29(8-14-32)19-4-6-21(33(36)37)22(16-19)31-11-9-30(10-12-31)20-5-3-18(25(26,27)28)15-23(20)34(38)39/h3-6,15-17H,7-14H2,1-2H3InChIKey
YBDSWUPMDYRXTQ-UHFFFAOYSA-NSynonyms
2METHYL1(4(4NITRO3(4(2NITRO4(TRIFLUOROMETHYL)PHENYL)PIPERAZIN1YL)PHENYL)PIPERAZIN1YL)PROPAN1ONE
CC(C)C(=O)N1CCN(CC1)C2=CC(=C(C=C2)(N+)(=O)(O))N3CCN(CC3)C4=C(C=C(C=C4)C(F)(F)F)(N+)(=O)(O)
InChI=1SC25H29F3N6O5c117(2)24(35)3213729(81432)194621(33(36)37)22(1619)3111930(101231)205318(25(2627)28)1523(20)34(38)39h361517H714H212H3
MFCD03306382
O=C(N1CCN(CC1)c1ccc(c(c1)N1CCN(CC1)c1ccc(cc1(N+)(=O)(O))C(F)(F)F)(N+)(=O)(O))C(C)C
STK047238
ZINC000100280907
ZINC100280907
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