Vitas-M small molecule compound
3-{7-[2-(difluoromethoxy)phenyl]-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl}phenyl nitrate
Catalog ID
STL191385
SMILES FC(Oc1ccccc1C1C=C(Nc2n1ncn2)c1cccc(c1)O[N+](=O)[O-])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 C18H13F2N5O4 MW 401.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H13F2N5O4/c19-17(20)28-16-7-2-1-6-13(16)15-9-14(23-18-21-10-22-24(15)18)11-4-3-5-12(8-11)29-25(26)27/h1-10,15,17H,(H,21,22,23)InChIKey
OPNGRPIEORDIQG-UHFFFAOYSA-NSynonyms
(3(7(2(difluoromethoxy)phenyl)17dihydro(124)triazolo(15a)pyrimidin5yl)phenyl)nitrate
3(7(2(difluoromethoxy)phenyl)47dihydro(124)triazolo(15a)pyrimidin5yl)phenylnitrate
C1=CC=C(C(=C1)C2C=C(N=C3N2NC=N3)C4=CC(=CC=C4)O(N+)(=O)(O))OC(F)F
FC(Oc1ccccc1C1C=C(Nc2n1ncn2)c1cccc(c1)O(N+)(=O)(O))F
InChI=1SC18H13F2N5O4c1917(20)2816721613(16)15914(231821102224(15)18)1143512(811)2925(26)27h1101517H(H212223)
MFCD22390309
ZINC000101353634
ZINC000101353635
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