Vitas-M small molecule compound
N,N'-bis[2-nitro-4-(trifluoromethyl)phenyl]butane-1,4-diamine
Catalog ID
STK079858
SMILES [O-][N+](=O)c1cc(ccc1NCCCCNc1ccc(cc1[N+](=O)[O-])C(F)(F)F)C(F)(F)F
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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 C18H16F6N4O4 MW 466.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16F6N4O4/c19-17(20,21)11-3-5-13(15(9-11)27(29)30)25-7-1-2-8-26-14-6-4-12(18(22,23)24)10-16(14)28(31)32/h3-6,9-10,25-26H,1-2,7-8H2InChIKey
CIKLFIYSDGFYGU-UHFFFAOYSA-NSynonyms
(O)(N+)(=O)c1cc(ccc1NCCCCNc1ccc(cc1(N+)(=O)(O))C(F)(F)F)C(F)(F)F
C1=CC(=C(C=C1C(F)(F)F)(N+)(=O)(O))NCCCCNC2=C(C=C(C=C2)C(F)(F)F)(N+)(=O)(O)
InChI=1SC18H16F6N4O4c1917(2021)113513(15(911)27(29)30)25712826146412(18(2223)24)1016(14)28(31)32h369102526H1278H2
MFCD02039784
NNBIS(2NITRO4(TRIFLUOROMETHYL)PHENYL)BUTANE14DIAMINE
STK079858
ZINC000009635959
ZINC09635959
ZINC9635959
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