Vitas-M small molecule compound
N-(2-methyl-4-nitrophenyl)-5-oxo-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
Catalog ID
STK220883
SMILES O=C1Nc2ncnn2C(C1)C(=O)Nc1ccc(cc1C)[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 C13H12N6O4 MW 316.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H12N6O4/c1-7-4-8(19(22)23)2-3-9(7)16-12(21)10-5-11(20)17-13-14-6-15-18(10)13/h2-4,6,10H,5H2,1H3,(H,16,21)(H,14,15,17,20)InChIKey
KUPCGHZZJYLIKM-UHFFFAOYSA-NSynonyms
CC1=C(C=CC(=C1)(N+)(=O)(O))NC(=O)C2CC(=O)N=C3N2NC=N3
InChI=1SC13H12N6O4c1748(19(22)23)239(7)1612(21)10511(20)17131461518(10)13h24610H5H21H3(H1621)(H14151720)
MFCD06775853
N(2methyl4nitrophenyl)5oxo4567tetrahydro(124)triazolo(15a)pyrimidine7carboxamide
N(2METHYL4NITROPHENYL)5OXO67DIHYDRO1H(124)TRIAZOLO(15A)PYRIMIDINE7CARBOXAMIDE
O=C1Nc2ncnn2C(C1)C(=O)Nc1ccc(cc1C)(N+)(=O)(O)
ZINC000009088125
ZINC000009088126
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