Vitas-M small molecule compound
cyclohexyl 5-methyl-7-[4-(nitrooxy)phenyl]-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Catalog ID
STL192248
SMILES [O-][N+](=O)Oc1ccc(cc1)C1C(=C(C)Nc2n1ncn2)C(=O)OC1CCCCC1
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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 C19H21N5O5 MW 399.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H21N5O5/c1-12-16(18(25)28-14-5-3-2-4-6-14)17(23-19(22-12)20-11-21-23)13-7-9-15(10-8-13)29-24(26)27/h7-11,14,17H,2-6H2,1H3,(H,20,21,22)InChIKey
JBIAUUIUHKIYPH-UHFFFAOYSA-NSynonyms
(O)(N+)(=O)Oc1ccc(cc1)C1C(=C(C)Nc2n1ncn2)C(=O)OC1CCCCC1
CC1=C(C(N2C(=N1)N=CN2)C3=CC=C(C=C3)O(N+)(=O)(O))C(=O)OC4CCCCC4
cyclohexyl5methyl7(4(nitrooxy)phenyl)47dihydro(124)triazolo(15a)pyrimidine6carboxylate
cyclohexyl5methyl7(4nitrooxyphenyl)17dihydro(124)triazolo(15a)pyrimidine6carboxylate
InChI=1SC19H21N5O5c11216(18(25)28145324614)17(2319(2212)20112123)137915(10813)2924(26)27h7111417H26H21H3(H202122)
MFCD22390624
ZINC000072333084
ZINC000072333085
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