Vitas-M small molecule compound
1-{[(E)-1,3-benzodioxol-5-ylmethylidene]amino}-4,6-dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile
Catalog ID
STK032918
SMILES N#Cc1c(C)cc(n(c1=O)/N=C/c1ccc2c(c1)OCO2)C
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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 C16H13N3O3 MW 295.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H13N3O3/c1-10-5-11(2)19(16(20)13(10)7-17)18-8-12-3-4-14-15(6-12)22-9-21-14/h3-6,8H,9H2,1-2H3/b18-8+InChIKey
NHNJKIWAJOPBDX-QGMBQPNBSA-NSynonyms
1(((E)13BENZODIOXOL5YLMETHYLIDENE)AMINO)46DIMETHYL2OXO12DIHYDROPYRIDINE3CARBONITRILE
1((13BENZODIOXOL5YLMETHYLENE)AMINO)46DIMETHYL2OXO12DIHYDRO3PYRIDINECARBONITRILE
1((E)13BENZODIOXOL5YLMETHYLIDENEAMINO)46DIMETHYL2OXOPYRIDINE3CARBONITRILE
CC1=CC(=C(C(=O)N1N=CC2=CC3=C(C=C2)OCO3)C#N)C
InChI=1SC16H13N3O3c110511(2)19(16(20)13(10)717)18812341415(612)2292114h368H9H212H3b188+
MFCD00584659
N#Cc1c(C)cc(n(c1=O)N=Cc1ccc2c(c1)OCO2)C
STK032918
ZINC000000116622
ZINC33286737
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