Vitas-M small molecule compound
benzyl 5-methyl-7-(2-nitrophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate
Catalog ID
STL191352
SMILES [O-][N+](=O)c1ccccc1C1C(=C(C)Nc2n1nnn2)C(=O)OCc1ccccc1
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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 C19H16N6O4 MW 392.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H16N6O4/c1-12-16(18(26)29-11-13-7-3-2-4-8-13)17(24-19(20-12)21-22-23-24)14-9-5-6-10-15(14)25(27)28/h2-10,17H,11H2,1H3,(H,20,21,23)InChIKey
IBWYCDCVGFTLMG-UHFFFAOYSA-NSynonyms
(O)(N+)(=O)c1ccccc1C1C(=C(C)Nc2n1nnn2)C(=O)OCc1ccccc1
benzyl5methyl7(2nitrophenyl)17dihydrotetrazolo(15a)pyrimidine6carboxylate
benzyl5methyl7(2nitrophenyl)47dihydrotetrazolo(15a)pyrimidine6carboxylate
CC1=C(C(N2C(=N1)N=NN2)C3=CC=CC=C3(N+)(=O)(O))C(=O)OCC4=CC=CC=C4
InChI=1SC19H16N6O4c11216(18(26)2911137324813)17(2419(2012)21222324)149561015(14)25(27)28h21017H11H21H3(H202123)
MFCD14770112
ZINC000004934859
ZINC000004934868
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