Vitas-M small molecule compound
N-(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)-3,5-dinitrobenzamide
Catalog ID
STL332781
SMILES O=C(c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-])NCC1COc2c(O1)cccc2
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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 C16H13N3O7 MW 359.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H13N3O7/c20-16(10-5-11(18(21)22)7-12(6-10)19(23)24)17-8-13-9-25-14-3-1-2-4-15(14)26-13/h1-7,13H,8-9H2,(H,17,20)InChIKey
AZSDSOMCCCUXHZ-UHFFFAOYSA-NSynonyms
371220-81-4371220814
C1C(OC2=CC=CC=C2O1)CNC(=O)C3=CC(=CC(=C3)(N+)(=O)(O))(N+)(=O)(O)
InChI=1SC16H13N3O7c2016(10511(18(21)22)712(610)19(23)24)1781392514312415(14)2613h1713H89H2(H1720)
MFCD01898011
N((23dihydrobenzo(b)(14)dioxin2yl)methyl)35dinitrobenzamide
N(23dihydro14benzodioxin2ylmethyl)35dinitrobenzamide
N(23DIHYDRO14BENZODIOXIN3YLMETHYL)35DINITROBENZAMIDE
O=C(c1cc(cc(c1)(N+)(=O)(O))(N+)(=O)(O))NCC1COc2c(O1)cccc2
ZINC000002315867
ZINC000002315868
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