Vitas-M small molecule compound

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[(4-nitro-1H-pyrazol-1-yl)methyl]-1H-pyrazole-3-carboxamide

Catalog ID
STL402270
SMILES O=C(c1ccn(n1)Cn1ncc(c1)[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 C16H14N6O5 MW 370.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H14N6O5/c23-16(18-11-1-2-14-15(7-11)27-6-5-26-14)13-3-4-20(19-13)10-21-9-12(8-17-21)22(24)25/h1-4,7-9H,5-6,10H2,(H,18,23)
InChIKey
RVPUQJKJGFKVNC-UHFFFAOYSA-N
Synonyms
1005613-71-7
1005613717
C1COC2=C(O1)C=CC(=C2)NC(=O)C3=NN(C=C3)CN4C=C(C=N4)(N+)(=O)(O)
InChI=1SC16H14N6O5c2316(1811121415(711)27652614)133420(1913)1021912(81721)22(24)25h1479H5610H2(H1823)
MFCD04046280
N(23dihydro14benzodioxin6yl)1((4nitro1Hpyrazol1yl)methyl)1Hpyrazole3carboxamide
N(23DIHYDRO14BENZODIOXIN6YL)1((4NITROPYRAZOL1YL)METHYL)PYRAZOLE3CARBOXAMIDE
N(2H3HBENZO(34E)14DIOXIN6YL)(1((4NITROPYRAZOLYL)METHYL)PYRAZOL3YL)CARBOXAMIDE
O=C(c1ccn(n1)Cn1ncc(c1)(N+)(=O)(O))Nc1ccc2c(c1)OCCO2
ZINC000002788266
ZINC02788266
ZINC2788266

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Available files

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