Vitas-M small molecule compound

1-(6-chloro-5-nitropyrimidin-4-yl)azepane

Catalog ID
STK832649
SMILES Clc1ncnc(c1[N+](=O)[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 C10H13ClN4O2 MW 256.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C10H13ClN4O2/c11-9-8(15(16)17)10(13-7-12-9)14-5-3-1-2-4-6-14/h7H,1-6H2
InChIKey
SZTYMFGBRPYDKQ-UHFFFAOYSA-N
Synonyms
54413-32-0
1(6CHLORO5NITRO4PYRIMIDINYL)AZEPANE
1(6chloro5nitropyrimidin4yl)azepane
54413320
C1CCCN(CC1)C2=C(C(=NC=N2)Cl)(N+)(=O)(O)
Clc1ncnc(c1(N+)(=O)(O))N1CCCCCC1
InChI=1SC10H13ClN4O2c1198(15(16)17)10(137129)1453124614h7H16H2
MFCD01832722
ZINC000004350574
ZINC04350574
ZINC4350574

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.