Vitas-M small molecule compound
N-[7-(4-chlorophenyl)-5-oxo-3,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-4-nitrobenzamide
Catalog ID
STL048266
SMILES Clc1ccc(cc1)C1CC(=O)N=c2n1nc([nH]2)NC(=O)c1ccc(cc1)[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 C18H13ClN6O4 MW 412.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H13ClN6O4/c19-12-5-1-10(2-6-12)14-9-15(26)20-18-22-17(23-24(14)18)21-16(27)11-3-7-13(8-4-11)25(28)29/h1-8,14H,9H2,(H2,20,21,22,23,26,27)InChIKey
JYYNPYRVIQISRF-UHFFFAOYSA-NSynonyms
714923-39-4714923394
C1C(N2C(=NC1=O)N=C(N2)NC(=O)C3=CC=C(C=C3)(N+)(=O)(O))C4=CC=C(C=C4)Cl
Clc1ccc(cc1)C1CC(=O)N=c2n1nc((nH)2)NC(=O)c1ccc(cc1)(N+)(=O)(O)
InChI=1SC18H13ClN6O4c19125110(2612)14915(26)20182217(2324(14)18)2116(27)113713(8411)25(28)29h1814H9H2(H2202122232627)
MFCD05733940
N(7(4chlorophenyl)5oxo3567tetrahydro(124)triazolo(15a)pyrimidin2yl)4nitrobenzamide
N(7(4CHLOROPHENYL)5OXO67DIHYDRO1H(124)TRIAZOLO(15A)PYRIMIDIN2YL)4NITROBENZAMIDE
ZINC000009360011
ZINC000009360014
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