Vitas-M small molecule compound
methyl (7-hydroxy-4-methyl-2-oxo-8-{[3-(trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]methyl}-2H-chromen-3-yl)acetate
Catalog ID
STL315977
SMILES COC(=O)Cc1c(=O)oc2c(c1C)ccc(c2CN1CCn2c(C1)nnc2C(F)(F)F)O
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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 C20H19F3N4O5 MW 452.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19F3N4O5/c1-10-11-3-4-14(28)13(17(11)32-18(30)12(10)7-16(29)31-2)8-26-5-6-27-15(9-26)24-25-19(27)20(21,22)23/h3-4,28H,5-9H2,1-2H3InChIKey
APINARFHXYYNPN-UHFFFAOYSA-NSynonyms
1435998-87-01435998870
CC1=C(C(=O)OC2=C1C=CC(=C2CN3CCN4C(=NN=C4C(F)(F)F)C3)O)CC(=O)OC
InChI=1SC20H19F3N4O5c110113414(28)13(17(11)3218(30)12(10)716(29)312)826562715(926)242519(27)20(2122)23h3428H59H212H3
methyl(7hydroxy4methyl2oxo8((3(trifluoromethyl)56dihydro(124)triazolo(43a)pyrazin7(8H)yl)methyl)2Hchromen3yl)acetate
methyl2(7hydroxy4methyl2oxo8((3(trifluoromethyl)56dihydro(124)triazolo(43a)pyrazin7(8H)yl)methyl)2Hchromen3yl)acetate
methyl2(7hydroxy4methyl2oxo8((3(trifluoromethyl)68dihydro5H(124)triazolo(43a)pyrazin7yl)methyl)chromen3yl)acetate
MFCD23137895
ZINC000095477425
ZINC95477425
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