Vitas-M small molecule compound
2-hydroxy-3-{3-oxo-3-[3-(trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]propyl}-3,4-dihydro-5H-1,4-benzodiazepin-5-one
Catalog ID
STL317342
SMILES OC1=Nc2ccccc2C(=O)NC1CCC(=O)N1CCn2c(C1)nnc2C(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 C18H17F3N6O3 MW 422.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17F3N6O3/c19-18(20,21)17-25-24-13-9-26(7-8-27(13)17)14(28)6-5-12-16(30)22-11-4-2-1-3-10(11)15(29)23-12/h1-4,12H,5-9H2,(H,22,30)(H,23,29)InChIKey
OALDFUYDQMCQQT-UHFFFAOYSA-NSynonyms
2hydroxy3(3oxo3(3(trifluoromethyl)56dihydro(124)triazolo(43a)pyrazin7(8H)yl)propyl)34dihydro5H14benzodiazepin5one
3(3oxo3(3(trifluoromethyl)68dihydro5H(124)triazolo(43a)pyrazin7yl)propyl)34dihydro1H14benzodiazepine25dione
C1CN2C(=NN=C2C(F)(F)F)CN1C(=O)CCC3C(=O)NC4=CC=CC=C4C(=O)N3
InChI=1SC18H17F3N6O3c1918(2021)17252413926(7827(13)17)14(28)651216(30)2211421310(11)15(29)2312h1412H59H2(H2230)(H2329)
MFCD28028332
ZINC000095478472
ZINC000095478473
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