Vitas-M small molecule compound
octyl 5-methyl-7-(3-nitrophenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Catalog ID
STL192221
SMILES CCCCCCCCOC(=O)C1=C(C)Nc2n(C1c1cccc(c1)[N+](=O)[O-])ncn2
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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 C21H27N5O4 MW 413.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H27N5O4/c1-3-4-5-6-7-8-12-30-20(27)18-15(2)24-21-22-14-23-25(21)19(18)16-10-9-11-17(13-16)26(28)29/h9-11,13-14,19H,3-8,12H2,1-2H3,(H,22,23,24)InChIKey
NFRRPFPXYRLTRX-UHFFFAOYSA-NSynonyms
CCCCCCCCOC(=O)C1=C(C)Nc2n(C1c1cccc(c1)(N+)(=O)(O))ncn2
CCCCCCCCOC(=O)C1=C(N=C2N=CNN2C1C3=CC(=CC=C3)(N+)(=O)(O))C
InChI=1SC21H27N5O4c1345678123020(27)1815(2)242122142325(21)19(18)161091117(1316)26(28)29h911131419H3812H212H3(H222324)
MFCD14730027
octyl5methyl7(3nitrophenyl)17dihydro(124)triazolo(15a)pyrimidine6carboxylate
octyl5methyl7(3nitrophenyl)47dihydro(124)triazolo(15a)pyrimidine6carboxylate
ZINC000101284738
ZINC000101284740
Check stock
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