Vitas-M small molecule compound

1-(1,3-benzothiazol-2-yl)-6-(2-chlorophenyl)-1,5,6,7-tetrahydro-4H-indazol-4-one

Catalog ID
STK206709
SMILES Clc1ccccc1C1CC(=O)c2c(C1)n(nc2)c1nc2c(s1)cccc2

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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 C20H14ClN3OS MW 379.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H14ClN3OS/c21-15-6-2-1-5-13(15)12-9-17-14(18(25)10-12)11-22-24(17)20-23-16-7-3-4-8-19(16)26-20/h1-8,11-12H,9-10H2
InChIKey
XLBRLXMENWKZMQ-UHFFFAOYSA-N
Synonyms

1(13benzothiazol2yl)6(2chlorophenyl)1567tetrahydro4Hindazol4one
1(13BENZOTHIAZOL2YL)6(2CHLOROPHENYL)67DIHYDRO5HINDAZOL4ONE
1BENZOTHIAZOL2YL6(2CHLOROPHENYL)1H567TRIHYDROINDAZOL4ONE
C1C(CC(=O)C2=C1N(N=C2)C3=NC4=CC=CC=C4S3)C5=CC=CC=C5Cl
InChI=1SC20H14ClN3OSc2115621513(15)1291714(18(25)1012)112224(17)202316734819(16)2620h181112H910H2
MFCD03759798
ZINC000001132601
ZINC000001132603

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Available files

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