Vitas-M small molecule compound
3-[(2S)-1-oxo-1-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}propan-2-yl]-1,2,3-benzotriazin-4(3H)-one
Catalog ID
STK717189
SMILES O=C([C@@H](n1nnc2c(c1=O)cccc2)C)N1CCN(CC1)c1cccc(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 C21H20F3N5O2 MW 431.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20F3N5O2/c1-14(29-20(31)17-7-2-3-8-18(17)25-26-29)19(30)28-11-9-27(10-12-28)16-6-4-5-15(13-16)21(22,23)24/h2-8,13-14H,9-12H2,1H3/t14-/m0/s1InChIKey
RXGHAXZUNMWUQI-AWEZNQCLSA-NSynonyms
1173687-09-6(S)3(1oxo1(4(3(trifluoromethyl)phenyl)piperazin1yl)propan2yl)benzo(d)(123)triazin4(3H)one
1173687096
3((2S)1oxo1(4(3(trifluoromethyl)phenyl)piperazin1yl)propan2yl)123benzotriazin4(3H)one
3((2S)1oxo1(4(3(trifluoromethyl)phenyl)piperazin1yl)propan2yl)123benzotriazin4one
CC(C(=O)N1CCN(CC1)C2=CC=CC(=C2)C(F)(F)F)N3C(=O)C4=CC=CC=C4N=N3
InChI=1SC21H20F3N5O2c114(2920(31)17723818(17)252629)19(30)2811927(101228)1664515(1316)21(2223)24h281314H912H21H3t14m0s1
MFCD06782500
O=C((C@@H)(n1nnc2c(c1=O)cccc2)C)N1CCN(CC1)c1cccc(c1)C(F)(F)F
ZINC000009187839
ZINC09187839
ZINC9187839
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