Vitas-M small molecule compound
5-[2-(azepan-1-yl)-5-nitrobenzylidene]-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STK672470
SMILES CN1C(=O)N(C)C(=O)C(=Cc2cc(ccc2N2CCCCCC2)[N+](=O)[O-])C1=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 C19H22N4O5 MW 386.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H22N4O5/c1-20-17(24)15(18(25)21(2)19(20)26)12-13-11-14(23(27)28)7-8-16(13)22-9-5-3-4-6-10-22/h7-8,11-12H,3-6,9-10H2,1-2H3InChIKey
BEAUNHZMCAIPKS-UHFFFAOYSA-NSynonyms
5((2(AZEPAN1YL)5NITROPHENYL)METHYLIDENE)13DIMETHYL13DIAZINANE246TRIONE
5((2AZEPAN1YL5NITROPHENYL)METHYLIDENE)13DIMETHYLPYRIMIDINE246(1H3H5H)TRIONE
5(2(AZEPAN1YL)5NITROBENZYLIDENE)13DIMETHYLPYRIMIDINE246(1H3H5H)TRIONE
CN1C(=O)C(=CC2=C(C=CC(=C2)(N+)(=O)(O))N3CCCCCC3)C(=O)N(C1=O)C
CN1C(=O)N(C)C(=O)C(=Cc2cc(ccc2N2CCCCCC2)(N+)(=O)(O))C1=O
InChI=1SC19H22N4O5c12017(24)15(18(25)21(2)19(20)26)12131114(23(27)28)7816(13)22953461022h781112H36910H212H3
MFCD00501080
ZINC000004117081
ZINC04117081
ZINC4117081
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