Vitas-M small molecule compound
3-tert-butyl-1-methyl-N-(2-methyl-5-nitrophenyl)-4-nitro-1H-pyrazole-5-carboxamide
Catalog ID
STL342370
SMILES O=C(c1n(C)nc(c1[N+](=O)[O-])C(C)(C)C)Nc1cc(ccc1C)[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 C16H19N5O5 MW 361.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H19N5O5/c1-9-6-7-10(20(23)24)8-11(9)17-15(22)13-12(21(25)26)14(16(2,3)4)18-19(13)5/h6-8H,1-5H3,(H,17,22)InChIKey
CIUOVZRDIAUAPN-UHFFFAOYSA-NSynonyms
396721-48-53(tertbutyl)1methylN(2methyl5nitrophenyl)4nitro1Hpyrazole5carboxamide
396721485
3tertbutyl1methylN(2methyl5nitrophenyl)4nitro1Hpyrazole5carboxamide
5TERTBUTYL2METHYLN(2METHYL5NITROPHENYL)4NITROPYRAZOLE3CARBOXAMIDE
CC1=C(C=C(C=C1)(N+)(=O)(O))NC(=O)C2=C(C(=NN2C)C(C)(C)C)(N+)(=O)(O)
InChI=1SC16H19N5O5c196710(20(23)24)811(9)1715(22)1312(21(25)26)14(16(23)4)1819(13)5h68H15H3(H1722)
MFCD02162727
O=C(c1n(C)nc(c1(N+)(=O)(O))C(C)(C)C)Nc1cc(ccc1C)(N+)(=O)(O)
ZINC000002399765
ZINC02399765
ZINC2399765
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