Vitas-M small molecule compound
butyl 5-methyl-7-(3-nitrophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate
Catalog ID
STL190880
SMILES CCCCOC(=O)C1=C(C)Nc2n(C1c1cccc(c1)[N+](=O)[O-])nnn2
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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 C16H18N6O4 MW 358.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H18N6O4/c1-3-4-8-26-15(23)13-10(2)17-16-18-19-20-21(16)14(13)11-6-5-7-12(9-11)22(24)25/h5-7,9,14H,3-4,8H2,1-2H3,(H,17,18,20)InChIKey
KQBOKXSMTVRXGT-UHFFFAOYSA-NSynonyms
butyl5methyl7(3nitrophenyl)17dihydrotetrazolo(15a)pyrimidine6carboxylate
butyl5methyl7(3nitrophenyl)47dihydrotetrazolo(15a)pyrimidine6carboxylate
CCCCOC(=O)C1=C(C)Nc2n(C1c1cccc(c1)(N+)(=O)(O))nnn2
CCCCOC(=O)C1=C(N=C2N=NNN2C1C3=CC(=CC=C3)(N+)(=O)(O))C
InChI=1SC16H18N6O4c13482615(23)1310(2)171618192021(16)14(13)1165712(911)22(24)25h57914H348H212H3(H171820)
MFCD14730331
ZINC000003907170
ZINC000003907171
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