Vitas-M small molecule compound
4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carboxamide
Catalog ID
STK206142
SMILES NC(=O)N1CCN(CC1)c1ccc(cc1[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 C12H13F3N4O3 MW 318.26 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H13F3N4O3/c13-12(14,15)8-1-2-9(10(7-8)19(21)22)17-3-5-18(6-4-17)11(16)20/h1-2,7H,3-6H2,(H2,16,20)InChIKey
BQDUHOLSXFFJIJ-UHFFFAOYSA-NSynonyms
4(2NITRO4(TRIFLUOROMETHYL)PHENYL)PIPERAZINE1CARBOXAMIDE
C1CN(CCN1C2=C(C=C(C=C2)C(F)(F)F)(N+)(=O)(O))C(=O)N
InChI=1SC12H13F3N4O3c1312(1415)8129(10(78)19(21)22)173518(6417)11(16)20h127H36H2(H21620)
MFCD06634521
NC(=O)N1CCN(CC1)c1ccc(cc1(N+)(=O)(O))C(F)(F)F
ZINC000004741004
ZINC04741004
ZINC4741004
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