Vitas-M small molecule compound
1-(azepan-1-yl)-2-(5-chloro-2-oxopyridin-1(2H)-yl)-3-(3-nitrophenyl)propane-1,3-dione
Catalog ID
STK106782
SMILES Clc1ccc(=O)n(c1)C(C(=O)c1cccc(c1)[N+](=O)[O-])C(=O)N1CCCCCC1
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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 C20H20ClN3O5 MW 417.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20ClN3O5/c21-15-8-9-17(25)23(13-15)18(20(27)22-10-3-1-2-4-11-22)19(26)14-6-5-7-16(12-14)24(28)29/h5-9,12-13,18H,1-4,10-11H2InChIKey
XVTXYVSBDWPZSA-UHFFFAOYSA-NSynonyms
1(AZEPAN1YL)2(5CHLORO2OXOPYRIDIN1(2H)YL)3(3NITROPHENYL)PROPANE13DIONE
1(azepan1yl)2(5chloro2oxopyridin1yl)3(3nitrophenyl)propane13dione
C1CCCN(CC1)C(=O)C(C(=O)C2=CC(=CC=C2)(N+)(=O)(O))N3C=C(C=CC3=O)Cl
Clc1ccc(=O)n(c1)C(C(=O)c1cccc(c1)(N+)(=O)(O))C(=O)N1CCCCCC1
InChI=1SC20H20ClN3O5c21158917(25)23(1315)18(20(27)221031241122)19(26)1465716(1214)24(28)29h59121318H141011H2
MFCD09267278
ZINC000009762968
ZINC000009762969
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