Vitas-M small molecule compound

2-(4-methoxyphenyl)-4-(1,1,2,2-tetrafluoroethyl)-3H-1,5-benzodiazepine

Catalog ID
STK701114
SMILES COc1ccc(cc1)C1=Nc2ccccc2N=C(C1)C(C(F)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 C18H14F4N2O MW 350.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H14F4N2O/c1-25-12-8-6-11(7-9-12)15-10-16(18(21,22)17(19)20)24-14-5-3-2-4-13(14)23-15/h2-9,17H,10H2,1H3
InChIKey
LMRGYWXXCXLVCM-UHFFFAOYSA-N
Synonyms
294892-85-6
2(4methoxyphenyl)4(1122tetrafluoroethyl)3H15benzodiazepine
2(4methoxyphenyl)4(1122tetrafluoroethyl)3Hbenzo(b)(14)diazepine
294892856
COC1=CC=C(C=C1)C2=NC3=CC=CC=C3N=C(C2)C(C(F)F)(F)F
InChI=1SC18H14F4N2Oc125128611(7912)151016(18(2122)17(19)20)2414532413(14)2315h2917H10H21H3
MFCD01419195
ZINC000001100785
ZINC01100785
ZINC1100785

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.