Vitas-M small molecule compound
cyclohexyl 5-methyl-7-(3-nitrophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate
Catalog ID
STK914787
SMILES CC1=C(C(=O)OC2CCCCC2)C(n2c(N1)nnn2)c1cccc(c1)[N+](=O)[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 C18H20N6O4 MW 384.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H20N6O4/c1-11-15(17(25)28-14-8-3-2-4-9-14)16(23-18(19-11)20-21-22-23)12-6-5-7-13(10-12)24(26)27/h5-7,10,14,16H,2-4,8-9H2,1H3,(H,19,20,22)InChIKey
CPEVBMFHRWYMIF-UHFFFAOYSA-NSynonyms
CC1=C(C(=O)OC2CCCCC2)C(n2c(N1)nnn2)c1cccc(c1)(N+)(=O)(O)
CC1=C(C(N2C(=N1)N=NN2)C3=CC(=CC=C3)(N+)(=O)(O))C(=O)OC4CCCCC4
cyclohexyl5methyl7(3nitrophenyl)17dihydrotetrazolo(15a)pyrimidine6carboxylate
cyclohexyl5methyl7(3nitrophenyl)47dihydrotetrazolo(15a)pyrimidine6carboxylate
InChI=1SC18H20N6O4c11115(17(25)28148324914)16(2318(1911)20212223)1265713(1012)24(26)27h57101416H2489H21H3(H192022)
MFCD08831149
ZINC000001291788
ZINC000001291789
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