Vitas-M small molecule compound
{4-[2,6-dinitro-4-(trifluoromethyl)phenyl]piperazin-1-yl}(thiophen-2-yl)methanone
Catalog ID
STK158027
SMILES [O-][N+](=O)c1cc(cc(c1N1CCN(CC1)C(=O)c1cccs1)[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 C16H13F3N4O5S MW 430.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H13F3N4O5S/c17-16(18,19)10-8-11(22(25)26)14(12(9-10)23(27)28)20-3-5-21(6-4-20)15(24)13-2-1-7-29-13/h1-2,7-9H,3-6H2InChIKey
DTNZONMKJPDEDC-UHFFFAOYSA-NSynonyms
591726-84-0(4(26DINITRO4(TRIFLUOROMETHYL)PHENYL)PIPERAZIN1YL)(THIOPHEN2YL)METHANONE
(4(26DINITRO4(TRIFLUOROMETHYL)PHENYL)PIPERAZIN1YL)THIOPHEN2YLMETHANONE
(O)(N+)(=O)c1cc(cc(c1N1CCN(CC1)C(=O)c1cccs1)(N+)(=O)(O))C(F)(F)F
591726840
C1CN(CCN1C2=C(C=C(C=C2(N+)(=O)(O))C(F)(F)F)(N+)(=O)(O))C(=O)C3=CC=CS3
InChI=1SC16H13F3N4O5Sc1716(1819)10811(22(25)26)14(12(910)23(27)28)203521(6420)15(24)132172913h1279H36H2
MFCD03685420
ZINC000009111597
ZINC09111597
ZINC9111597
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