Vitas-M small molecule compound

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

Catalog ID
STK038408
SMILES Clc1cc(ccc1NCCCOc1nonc1C)[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 C12H13ClN4O4 MW 312.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H13ClN4O4/c1-8-12(16-21-15-8)20-6-2-5-14-11-4-3-9(17(18)19)7-10(11)13/h3-4,7,14H,2,5-6H2,1H3
InChIKey
JMDGWNZNEMVRMI-UHFFFAOYSA-N
Synonyms

2CHLORON(3((4METHYL125OXADIAZOL3YL)OXY)PROPYL)4NITROANILINE
CC1=NON=C1OCCCNC2=C(C=C(C=C2)(N+)(=O)(O))Cl
Clc1cc(ccc1NCCCOc1nonc1C)(N+)(=O)(O)
InChI=1SC12H13ClN4O4c1812(1621158)206251411439(17(18)19)710(11)13h34714H256H21H3
MFCD00414139
N(2CHLORO4NITROPHENYL)N(3((4METHYL125OXADIAZOL3YL)OXY)PROPYL)AMINE
STK038408
ZINC000004547987
ZINC04547987
ZINC4547987

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Available files

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