Vitas-M small molecule compound

N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-4-(4-methylpiperidin-1-yl)-3-nitrobenzamide

Catalog ID
STK355523
SMILES CC1CCN(CC1)c1ccc(cc1[N+](=O)[O-])C(=O)Nc1c(Cl)ccc2c1nsn2

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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 C19H18ClN5O3S MW 431.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H18ClN5O3S/c1-11-6-8-24(9-7-11)15-5-2-12(10-16(15)25(27)28)19(26)21-17-13(20)3-4-14-18(17)23-29-22-14/h2-5,10-11H,6-9H2,1H3,(H,21,26)
InChIKey
XWWMBIORLWRWJR-UHFFFAOYSA-N
Synonyms

CC1CCN(CC1)c1ccc(cc1(N+)(=O)(O))C(=O)Nc1c(Cl)ccc2c1nsn2
CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=C(C=CC4=NSN=C43)Cl)(N+)(=O)(O)
InChI=1SC19H18ClN5O3Sc1116824(9711)155212(1016(15)25(27)28)19(26)211713(20)341418(17)23292214h251011H69H21H3(H2126)
MFCD07177827
N(5chloro213benzothiadiazol4yl)4(4methylpiperidin1yl)3nitrobenzamide
ZINC000020100683
ZINC20100683

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Available files

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