Vitas-M small molecule compound
3-[(1,3-dimethyl-4-nitro-1H-pyrazol-5-yl)carbonyl]-3,4-dihydrophthalazin-1(2H)-one
Catalog ID
STL396411
SMILES O=C(c1n(C)nc(c1[N+](=O)[O-])C)N1NC(=O)c2c(C1)cccc2
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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 C14H13N5O4 MW 315.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H13N5O4/c1-8-11(19(22)23)12(17(2)15-8)14(21)18-7-9-5-3-4-6-10(9)13(20)16-18/h3-6H,7H2,1-2H3,(H,16,20)InChIKey
IVROFGDJYJAREH-UHFFFAOYSA-NSynonyms
512808-94-53((13DIMETHYL4NITRO1HPYRAZOL5YL)CARBONYL)34DIHYDROPHTHALAZIN1(2H)ONE
3((4NITRO13DIMETHYL1HPYRAZOL5YL)CARBONYL)34DIHYDRO1(2H)PHTHALAZINONE
3(25DIMETHYL4NITROPYRAZOLE3CARBONYL)24DIHYDROPHTHALAZIN1ONE
512808945
CC1=NN(C(=C1(N+)(=O)(O))C(=O)N2CC3=CC=CC=C3C(=O)N2)C
InChI=1SC14H13N5O4c1811(19(22)23)12(17(2)158)14(21)1879534610(9)13(20)1618h36H7H212H3(H1620)
MFCD03465625
O=C(c1n(C)nc(c1(N+)(=O)(O))C)N1NC(=O)c2c(C1)cccc2
ZINC000000213986
ZINC00213986
ZINC213986
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