Vitas-M small molecule compound
4-bromo-N-[4-(difluoromethoxy)-3-methoxyphenyl]-5-nitro-1H-pyrazole-3-carboxamide
Catalog ID
STK307448
SMILES COc1cc(ccc1OC(F)F)NC(=O)c1n[nH]c(c1Br)[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 C12H9BrF2N4O5 MW 407.13 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H9BrF2N4O5/c1-23-7-4-5(2-3-6(7)24-12(14)15)16-11(20)9-8(13)10(18-17-9)19(21)22/h2-4,12H,1H3,(H,16,20)(H,17,18)InChIKey
CKWMPHRRGMVPOB-UHFFFAOYSA-NSynonyms
1039030-57-31039030573
4BROMON(4(DIFLUOROMETHOXY)3METHOXYPHENYL)3NITRO1HPYRAZOLE5CARBOXAMIDE
4bromoN(4(difluoromethoxy)3methoxyphenyl)5nitro1Hpyrazole3carboxamide
COC1=C(C=CC(=C1)NC(=O)C2=C(C(=NN2)(N+)(=O)(O))Br)OC(F)F
COc1cc(ccc1OC(F)F)NC(=O)c1n(nH)c(c1Br)(N+)(=O)(O)
InChI=1SC12H9BrF2N4O5c123745(236(7)2412(14)15)1611(20)98(13)10(18179)19(21)22h2412H1H3(H1620)(H1718)
MFCD04053874
ZINC000006412863
ZINC06412863
ZINC6412863
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