Vitas-M small molecule compound
1-methyl-1,2,3,4-tetrahydrobenzo[b][1,8]naphthyridin-5-aminium 2-chloro-5-nitrobenzoate
Catalog ID
STK060795
SMILES [O-][N+](=O)c1ccc(c(c1)C(=O)[O-])Cl.CN1CCCc2c1nc1ccccc1c2[NH3+]
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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 C20H19ClN4O4 MW 414.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H15N3.C7H4ClNO4/c1-16-8-4-6-10-12(14)9-5-2-3-7-11(9)15-13(10)16;8-6-2-1-4(9(12)13)3-5(6)7(10)11/h2-3,5,7H,4,6,8H2,1H3,(H2,14,15);1-3H,(H,10,11)InChIKey
VBZWHGJLALHQRR-UHFFFAOYSA-NSynonyms
(O)(N+)(=O)c1ccc(c(c1)C(=O)(O))ClCN1CCCc2c1nc1ccccc1c2(NH3+)
1methyl1234tetrahydrobenzo(b)(18)naphthyridin5aminium2chloro5nitrobenzoate
2chloro5nitrobenzoate(1methyl34dihydro2Hbenzo(b)(18)naphthyridin5yl)azanium
CN1CCCC2=C(C3=CC=CC=C3N=C21)(NH3+)C1=CC(=C(C=C1(N+)(=O)(O))C(=O)(O))Cl
InChI=1SC13H15N3C7H4ClNO4c1168461012(14)9523711(9)1513(10)1686214(9(12)13)35(6)7(10)11h2357H468H21H3(H21415)13H(H1011)
MFCD04093150
STK060795
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