Vitas-M small molecule compound

4-(1,3-benzothiazol-2-yl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]butan-1-one

Catalog ID
STL246062
SMILES COc1ccccc1N1CCN(CC1)C(=O)CCCc1nc2c(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 C22H25N3O2S MW 395.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H25N3O2S/c1-27-19-9-4-3-8-18(19)24-13-15-25(16-14-24)22(26)12-6-11-21-23-17-7-2-5-10-20(17)28-21/h2-5,7-10H,6,11-16H2,1H3
InChIKey
LQZACRRDFIQENH-UHFFFAOYSA-N
Synonyms
1180484-41-6
1180484416
4(13benzothiazol2yl)1(4(2methoxyphenyl)piperazin1yl)butan1one
4(benzo(d)thiazol2yl)1(4(2methoxyphenyl)piperazin1yl)butan1one
COC1=CC=CC=C1N2CCN(CC2)C(=O)CCCC3=NC4=CC=CC=C4S3
InChI=1SC22H25N3O2Sc12719943818(19)24131525(161424)22(26)126112123177251020(17)2821h25710H61116H21H3
MFCD15367689
ZINC000008200321
ZINC08200321
ZINC8200321

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Available files

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