Vitas-M small molecule compound

ethyl 2-{[(4-oxo-1-phenyl-1,4-dihydropyridazin-3-yl)carbonyl]amino}-1,3-benzothiazole-6-carboxylate

Catalog ID
STK517684
SMILES CCOC(=O)c1ccc2c(c1)sc(n2)NC(=O)c1nn(ccc1=O)c1ccccc1

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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 C21H16N4O4S MW 420.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16N4O4S/c1-2-29-20(28)13-8-9-15-17(12-13)30-21(22-15)23-19(27)18-16(26)10-11-25(24-18)14-6-4-3-5-7-14/h3-12H,2H2,1H3,(H,22,23,27)
InChIKey
XTHQMGYPXXCOJA-UHFFFAOYSA-N
Synonyms
898472-90-7
898472907
CCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3=NN(C=CC3=O)C4=CC=CC=C4
ethyl2(((4oxo1phenyl14dihydropyridazin3yl)carbonyl)amino)13benzothiazole6carboxylate
ethyl2((4oxo1phenylpyridazine3carbonyl)amino)13benzothiazole6carboxylate
InChI=1SC21H16N4O4Sc122920(28)13891517(1213)3021(2215)2319(27)1816(26)101125(2418)146435714h312H2H21H3(H222327)
MFCD08549867
ZINC000009205854
ZINC09205854
ZINC9205854

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Available files

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