Vitas-M small molecule compound
(2E)-1-(6-amino-1,3-benzodioxol-5-yl)-3-(3-nitrophenyl)prop-2-en-1-one
Catalog ID
STK001727
SMILES O=C(c1cc2OCOc2cc1N)/C=C/c1cccc(c1)[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 C16H12N2O5 MW 312.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H12N2O5/c17-13-8-16-15(22-9-23-16)7-12(13)14(19)5-4-10-2-1-3-11(6-10)18(20)21/h1-8H,9,17H2/b5-4+InChIKey
ZALANPDWQAPIPG-SNAWJCMRSA-NSynonyms
(2E)1(6AMINO13BENZODIOXOL5YL)3(3NITROPHENYL)PROP2EN1ONE
(E)1(6AMINO13BENZODIOXOL5YL)3(3NITROPHENYL)PROP2EN1ONE
C1OC2=C(O1)C=C(C(=C2)C(=O)C=CC3=CC(=CC=C3)(N+)(=O)(O))N
InChI=1SC16H12N2O5c171381615(2292316)712(13)14(19)541021311(610)18(20)21h18H917H2b54+
MFCD03488892
O=C(c1cc2OCOc2cc1N)C=Cc1cccc(c1)(N+)(=O)(O)
STK001727
ZINC000004548141
ZINC04548141
ZINC4548141
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