Vitas-M small molecule compound

2-{[(4-chlorophenyl)(1,1-dioxido-1,2-benzothiazol-3-yl)amino]methyl}phenyl pyridine-3-carboxylate

Catalog ID
STK180095
SMILES Clc1ccc(cc1)N(C1=NS(=O)(=O)c2c1cccc2)Cc1ccccc1OC(=O)c1cccnc1

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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 C26H18ClN3O4S MW 503.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H18ClN3O4S/c27-20-11-13-21(14-12-20)30(25-22-8-2-4-10-24(22)35(32,33)29-25)17-19-6-1-3-9-23(19)34-26(31)18-7-5-15-28-16-18/h1-16H,17H2
InChIKey
XTNYPJIYGNRMTJ-UHFFFAOYSA-N
Synonyms

(2((4CHLORON(11DIOXO12BENZOTHIAZOL3YL)ANILINO)METHYL)PHENYL)PYRIDINE3CARBOXYLATE
2(((4CHLOROPHENYL)(11DIOXIDO12BENZOTHIAZOL3YL)AMINO)METHYL)PHENYLPYRIDINE3CARBOXYLATE
C1=CC=C(C(=C1)CN(C2=CC=C(C=C2)Cl)C3=NS(=O)(=O)C4=CC=CC=C43)OC(=O)C5=CN=CC=C5
InChI=1SC26H18ClN3O4Sc2720111321(141220)30(25228241024(22)35(3233)2925)1719613923(19)3426(31)187515281618h116H17H2
MFCD04277484
ZINC000003655826
ZINC03655826
ZINC3655826

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Available files

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