Vitas-M small molecule compound
N-{7-[(4-fluorophenyl)carbonyl]-2,3-dihydro-1,4-benzodioxin-6-yl}-3,5-dinitrobenzamide
Catalog ID
STK291377
SMILES Fc1ccc(cc1)C(=O)c1cc2OCCOc2cc1NC(=O)c1cc(cc(c1)[N+](=O)[O-])[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 C22H14FN3O8 MW 467.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H14FN3O8/c23-14-3-1-12(2-4-14)21(27)17-10-19-20(34-6-5-33-19)11-18(17)24-22(28)13-7-15(25(29)30)9-16(8-13)26(31)32/h1-4,7-11H,5-6H2,(H,24,28)InChIKey
MXRZJKMAVPRSRF-UHFFFAOYSA-NSynonyms
C1COC2=C(O1)C=C(C(=C2)NC(=O)C3=CC(=CC(=C3)(N+)(=O)(O))(N+)(=O)(O))C(=O)C4=CC=C(C=C4)F
Fc1ccc(cc1)C(=O)c1cc2OCCOc2cc1NC(=O)c1cc(cc(c1)(N+)(=O)(O))(N+)(=O)(O)
InChI=1SC22H14FN3O8c23143112(2414)21(27)17101920(34653319)1118(17)2422(28)13715(25(29)30)916(813)26(31)32h14711H56H2(H2428)
MFCD09960324
N(7((4fluorophenyl)carbonyl)23dihydro14benzodioxin6yl)35dinitrobenzamide
N(7(4fluorobenzoyl)23dihydro14benzodioxin6yl)35dinitrobenzamide
ZINC000013945486
ZINC13945486
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