Vitas-M small molecule compound

2-{2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-1,2-benzothiazol-3(2H)-one 1,1-dioxide

Catalog ID
STK111546
SMILES COc1ccc(cc1)N1CCN(CC1)C(=O)CN1C(=O)c2c(S1(=O)=O)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 C20H21N3O5S MW 415.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21N3O5S/c1-28-16-8-6-15(7-9-16)21-10-12-22(13-11-21)19(24)14-23-20(25)17-4-2-3-5-18(17)29(23,26)27/h2-9H,10-14H2,1H3
InChIKey
PDHNJIJFXRZRQQ-UHFFFAOYSA-N
Synonyms
578737-26-5
2(2(4(4METHOXYPHENYL)1PIPERAZINYL)2OXOETHYL)12BENZISOTHIAZOL3(2H)ONE11DIOXIDE
2(2(4(4METHOXYPHENYL)PIPERAZIN1YL)2OXOETHYL)11DIOXO12BENZOTHIAZOL3ONE
2(2(4(4METHOXYPHENYL)PIPERAZIN1YL)2OXOETHYL)12BENZOTHIAZOL3(2H)ONE11DIOXIDE
2(2(4(4METHOXYPHENYL)PIPERAZIN1YL)2OXOETHYL)BENZO(D)ISOTHIAZOL3(2H)ONE11DIOXIDE
2(2(4(4METHOXYPHENYL)PIPERAZINYL)2OXOETHYL)2HYDROBENZO(D)ISOTHIAZOLE113TRIONE
578737265
COC1=CC=C(C=C1)N2CCN(CC2)C(=O)CN3C(=O)C4=CC=CC=C4S3(=O)=O
InChI=1SC20H21N3O5Sc128168615(7916)21101222(131121)19(24)142320(25)17423518(17)29(2326)27h29H1014H21H3
MFCD04031917
ZINC000000665703
ZINC00665703
ZINC665703

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Available files

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