Vitas-M small molecule compound
4-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-nitro-1H-pyrazole-3-carboxamide
Catalog ID
STK316251
SMILES O=C(c1n[nH]c(c1Cl)[N+](=O)[O-])Nc1ccc2c(c1)OCCO2
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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 C12H9ClN4O5 MW 324.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H9ClN4O5/c13-9-10(15-16-11(9)17(19)20)12(18)14-6-1-2-7-8(5-6)22-4-3-21-7/h1-2,5H,3-4H2,(H,14,18)(H,15,16)InChIKey
IBXRARAGKYXPPI-UHFFFAOYSA-NSynonyms
490014-63-6490014636
4CHLORON(23DIHYDRO14BENZODIOXIN6YL)3NITRO1HPYRAZOLE5CARBOXAMIDE
4chloroN(23dihydro14benzodioxin6yl)5nitro1Hpyrazole3carboxamide
C1COC2=C(O1)C=CC(=C2)NC(=O)C3=C(C(=NN3)(N+)(=O)(O))Cl
InChI=1SC12H9ClN4O5c13910(151611(9)17(19)20)12(18)1461278(56)2243217h125H34H2(H1418)(H1516)
MFCD03071020
O=C(c1n(nH)c(c1Cl)(N+)(=O)(O))Nc1ccc2c(c1)OCCO2
ZINC000005642456
ZINC05642456
ZINC5642456
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