Vitas-M small molecule compound

5-chloro-N-{3-[(4-methoxy-1,2,5-oxadiazol-3-yl)oxy]propyl}-2-nitroaniline

Catalog ID
STK069251
SMILES COc1nonc1OCCCNc1cc(Cl)ccc1[N+](=O)[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 C12H13ClN4O5 MW 328.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H13ClN4O5/c1-20-11-12(16-22-15-11)21-6-2-5-14-9-7-8(13)3-4-10(9)17(18)19/h3-4,7,14H,2,5-6H2,1H3
InChIKey
YZGQDQPOGQEZAA-UHFFFAOYSA-N
Synonyms
5CHLORON(3((4METHOXY125OXADIAZOL3YL)OXY)PROPYL)2NITROANILINE
COC1=NON=C1OCCCNC2=C(C=CC(=C2)Cl)(N+)(=O)(O)
COc1nonc1OCCCNc1cc(Cl)ccc1(N+)(=O)(O)
Registry IDs
MFCD00404493
ZINC000004565402
ZINC04565402
ZINC4565402

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Available files

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