Vitas-M small molecule compound
N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-6-nitro-2-oxo-2H-chromene-3-carboxamide
Catalog ID
STK042986
SMILES O=C(c1cc2cc(ccc2oc1=O)[N+](=O)[O-])Nc1c(=O)n(n(c1C)C)c1ccccc1
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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 C21H16N4O6 MW 420.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16N4O6/c1-12-18(20(27)24(23(12)2)14-6-4-3-5-7-14)22-19(26)16-11-13-10-15(25(29)30)8-9-17(13)31-21(16)28/h3-11H,1-2H3,(H,22,26)InChIKey
IUPCUXJIUWTDQL-UHFFFAOYSA-NSynonyms
117665-37-9117665379
CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=CC4=C(C=CC(=C4)(N+)(=O)(O))OC3=O
InChI=1SC21H16N4O6c11218(20(27)24(23(12)2)146435714)2219(26)1611131015(25(29)30)8917(13)3121(16)28h311H12H3(H2226)
MFCD01594265
N(15DIMETHYL3OXO2PHENYL23DIHYDRO1HPYRAZOL4YL)6NITRO2OXO2HCHROMENE3CARBOXAMIDE
N(15DIMETHYL3OXO2PHENYLPYRAZOL4YL)6NITRO2OXOCHROMENE3CARBOXAMIDE
N(23DIMETHYL5OXO1PHENYL(3PYRAZOLIN4YL))(6NITRO2OXOCHROMEN3YL)CARBOXAMIDE
O=C(c1cc2cc(ccc2oc1=O)(N+)(=O)(O))Nc1c(=O)n(n(c1C)C)c1ccccc1
STK042986
ZINC000008921374
ZINC08921374
ZINC8921374
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