Vitas-M small molecule compound
methyl 3-nitro-5-{[3-(trifluoromethyl)phenyl]carbamoyl}benzoate
Catalog ID
STK013494
SMILES COC(=O)c1cc(cc(c1)[N+](=O)[O-])C(=O)Nc1cccc(c1)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 C16H11F3N2O5 MW 368.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H11F3N2O5/c1-26-15(23)10-5-9(6-13(7-10)21(24)25)14(22)20-12-4-2-3-11(8-12)16(17,18)19/h2-8H,1H3,(H,20,22)InChIKey
FGUNBJMTETUZHJ-UHFFFAOYSA-NSynonyms
328284-48-6328284486
COC(=O)C1=CC(=CC(=C1)C(=O)NC2=CC=CC(=C2)C(F)(F)F)(N+)(=O)(O)
COC(=O)c1cc(cc(c1)(N+)(=O)(O))C(=O)Nc1cccc(c1)C(F)(F)F
InChI=1SC16H11F3N2O5c12615(23)1059(613(710)21(24)25)14(22)201242311(812)16(1718)19h28H1H3(H2022)
METHYL3NITRO5((3(TRIFLUOROMETHYL)PHENYL)CARBAMOYL)BENZOATE
METHYL3NITRO5(N(3(TRIFLUOROMETHYL)PHENYL)CARBAMOYL)BENZOATE
MFCD01196885
STK013494
ZINC000001097960
ZINC01097960
ZINC1097960
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