Vitas-M small molecule compound
2-methyl-N-(4-nitrophenyl)-5-oxo-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
Catalog ID
STK211368
SMILES O=C1Nc2nc(nn2C(C1)C(=O)Nc1ccc(cc1)[N+](=O)[O-])C
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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/c1-7-14-13-16-11(20)6-10(18(13)17-7)12(21)15-8-2-4-9(5-3-8)19(22)23/h2-5,10H,6H2,1H3,(H,15,21)(H,14,16,17,20)InChIKey
XJPWFDMXVSPXNI-UHFFFAOYSA-NSynonyms
2methylN(4nitrophenyl)5oxo4567tetrahydro(124)triazolo(15a)pyrimidine7carboxamide
2METHYLN(4NITROPHENYL)5OXO67DIHYDRO1H(124)TRIAZOLO(15A)PYRIMIDINE7CARBOXAMIDE
CC1=NC2=NC(=O)CC(N2N1)C(=O)NC3=CC=C(C=C3)(N+)(=O)(O)
InChI=1SC13H12N6O4c1714131611(20)610(18(13)177)12(21)158249(538)19(22)23h2510H6H21H3(H1521)(H14161720)
MFCD06781374
O=C1Nc2nc(nn2C(C1)C(=O)Nc1ccc(cc1)(N+)(=O)(O))C
ZINC000009356633
ZINC000009356636
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