Vitas-M small molecule compound
1-[(2-chloro-4-nitrophenoxy)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazole-3-carboxamide
Catalog ID
STK309136
SMILES O=C(c1ccn(n1)COc1ccc(cc1Cl)[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 C19H15ClN4O6 MW 430.80 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H15ClN4O6/c20-14-10-13(24(26)27)2-4-16(14)30-11-23-6-5-15(22-23)19(25)21-12-1-3-17-18(9-12)29-8-7-28-17/h1-6,9-10H,7-8,11H2,(H,21,25)InChIKey
NWKKSPGZBMFIJM-UHFFFAOYSA-NSynonyms
1005601-31-91((2chloro4nitrophenoxy)methyl)N(23dihydro14benzodioxin6yl)1Hpyrazole3carboxamide
1((2chloro4nitrophenoxy)methyl)N(23dihydro14benzodioxin6yl)pyrazole3carboxamide
1005601319
C1COC2=C(O1)C=CC(=C2)NC(=O)C3=NN(C=C3)COC4=C(C=C(C=C4)(N+)(=O)(O))Cl
InChI=1SC19H15ClN4O6c20141013(24(26)27)2416(14)3011236515(2223)19(25)2112131718(912)29872817h16910H7811H2(H2125)
MFCD04133622
O=C(c1ccn(n1)COc1ccc(cc1Cl)(N+)(=O)(O))Nc1ccc2c(c1)OCCO2
ZINC000002799782
ZINC02799782
ZINC2799782
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