Vitas-M small molecule compound
N-[2,6-dinitro-4-(trifluoromethyl)phenyl]-N'-(2-nitrophenyl)butane-1,4-diamine
Catalog ID
STK019814
SMILES [O-][N+](=O)c1cc(cc(c1NCCCCNc1ccccc1[N+](=O)[O-])[N+](=O)[O-])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 C17H16F3N5O6 MW 443.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H16F3N5O6/c18-17(19,20)11-9-14(24(28)29)16(15(10-11)25(30)31)22-8-4-3-7-21-12-5-1-2-6-13(12)23(26)27/h1-2,5-6,9-10,21-22H,3-4,7-8H2InChIKey
LDBGPNWMVUCZPY-UHFFFAOYSA-NSynonyms
(O)(N+)(=O)c1cc(cc(c1NCCCCNc1ccccc1(N+)(=O)(O))(N+)(=O)(O))C(F)(F)F
C1=CC=C(C(=C1)NCCCCNC2=C(C=C(C=C2(N+)(=O)(O))C(F)(F)F)(N+)(=O)(O))(N+)(=O)(O)
InChI=1SC17H16F3N5O6c1817(1920)11914(24(28)29)16(15(1011)25(30)31)2284372112512613(12)23(26)27h12569102122H3478H2
MFCD01895954
N(26DINITRO4(TRIFLUOROMETHYL)PHENYL)N(2NITROPHENYL)BUTANE14DIAMINE
STK019814
ZINC000100202367
ZINC100202367
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