Vitas-M small molecule compound
2-[4-(butylamino)-3,5-dinitrophenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
Catalog ID
STK792987
SMILES CCCCNc1c(cc(cc1[N+](=O)[O-])C(C(F)(F)F)(C(F)(F)F)O)[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 C13H13F6N3O5 MW 405.25 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H13F6N3O5/c1-2-3-4-20-10-8(21(24)25)5-7(6-9(10)22(26)27)11(23,12(14,15)16)13(17,18)19/h5-6,20,23H,2-4H2,1H3InChIKey
MBGXPCFXUOMGHV-UHFFFAOYSA-NSynonyms
2(4(butylamino)35dinitrophenyl)111333hexafluoropropan2ol
CCCCNC1=C(C=C(C=C1(N+)(=O)(O))C(C(F)(F)F)(C(F)(F)F)O)(N+)(=O)(O)
CCCCNc1c(cc(cc1(N+)(=O)(O))C(C(F)(F)F)(C(F)(F)F)O)(N+)(=O)(O)
InChI=1SC13H13F6N3O5c123420108(21(24)25)57(69(10)22(26)27)11(2312(1415)16)13(1718)19h562023H24H21H3
MFCD00367676
ZINC000004186875
ZINC04186875
ZINC4186875
Check stock
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Check stock on Vitas-MAvailable files
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