Vitas-M small molecule compound

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

Catalog ID
STK129995
SMILES O=C(c1ccncc1)Oc1ccc(cc1)N(C1=NS(=O)(=O)c2c1cccc2)C

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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 C20H15N3O4S MW 393.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H15N3O4S/c1-23(19-17-4-2-3-5-18(17)28(25,26)22-19)15-6-8-16(9-7-15)27-20(24)14-10-12-21-13-11-14/h2-13H,1H3
InChIKey
ZHHNCLOMCPZCGN-UHFFFAOYSA-N
Synonyms
(4((11DIOXO12BENZOTHIAZOL3YL)METHYLAMINO)PHENYL)PYRIDINE4CARBOXYLATE
4((11DIOXIDO12BENZOTHIAZOL3YL)(METHYL)AMINO)PHENYLPYRIDINE4CARBOXYLATE
4((11DIOXOBENZO(D)12THIAZOLIN3YL)METHYLAMINO)PHENYLPYRIDINE4CARBOXYLATE
CN(C1=CC=C(C=C1)OC(=O)C2=CC=NC=C2)C3=NS(=O)(=O)C4=CC=CC=C43
Registry IDs
MFCD03110335
ZINC000000778612
ZINC00778612
ZINC778612

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Available files

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