Vitas-M small molecule compound

5-(4-chlorophenoxy)-4-nitro-2,1,3-benzothiadiazole

Catalog ID
STK832849
SMILES Clc1ccc(cc1)Oc1ccc2c(c1[N+](=O)[O-])nsn2

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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 C12H6ClN3O3S MW 307.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H6ClN3O3S/c13-7-1-3-8(4-2-7)19-10-6-5-9-11(15-20-14-9)12(10)16(17)18/h1-6H
InChIKey
DHXGOOQTCQFYBM-UHFFFAOYSA-N
Synonyms
312742-17-9
312742179
5(4chlorophenoxy)4nitro213benzothiadiazole
5(4CHLOROPHENOXY)4NITROBENZO(125)THIADIAZOLE
5(4CHLOROPHENOXY)4NITROBENZO(C)(125)THIADIAZOLE
C1=CC(=CC=C1OC2=C(C3=NSN=C3C=C2)(N+)(=O)(O))Cl
Clc1ccc(cc1)Oc1ccc2c(c1(N+)(=O)(O))nsn2
InChI=1SC12H6ClN3O3Sc137138(427)191065911(1520149)12(10)16(17)18h16H
MFCD00227189
ZINC000000225538
ZINC00225538
ZINC225538

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Available files

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