Vitas-M small molecule compound

2-{2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxoethyl}-1,2-benzothiazol-3(2H)-one 1,1-dioxide

Catalog ID
STK179162
SMILES O=C(N1CCN(CC1)Cc1ccc2c(c1)OCO2)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 C21H21N3O6S MW 443.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N3O6S/c25-20(13-24-21(26)16-3-1-2-4-19(16)31(24,27)28)23-9-7-22(8-10-23)12-15-5-6-17-18(11-15)30-14-29-17/h1-6,11H,7-10,12-14H2
InChIKey
REVSDDYZQIVWTQ-UHFFFAOYSA-N
Synonyms

11DIKETO2(2KETO2(4PIPERONYLPIPERAZINO)ETHYL)12BENZOTHIAZOL3ONE
2(2(4(13BENZODIOXOL5YLMETHYL)1PIPERAZINYL)2OXOETHYL)11DIOXO12BENZOTHIAZOL3ONE
2(2(4(13BENZODIOXOL5YLMETHYL)PIPERAZIN1YL)2OXIDANYLIDENEETHYL)11BIS(OXIDANYLIDENE)12BENZOTHIAZOL3ONE
2(2(4(13BENZODIOXOL5YLMETHYL)PIPERAZIN1YL)2OXOETHYL)11DIOXO12BENZOTHIAZOL3ONE
2(2(4(13BENZODIOXOL5YLMETHYL)PIPERAZIN1YL)2OXOETHYL)12BENZOTHIAZOL3(2H)ONE11DIOXIDE
2(2(4BENZO(13)DIOXOL5YLMETHYLPIPERAZIN1YL)2OXOETHYL)11DIOXO12DIHYDRO1LAMBDA6BENZO(D)ISOTHIAZOL3ONE
C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)CN4C(=O)C5=CC=CC=C5S4(=O)=O
InChI=1SC21H21N3O6Sc2520(132421(26)16312419(16)31(2427)28)239722(81023)1215561718(1115)30142917h1611H7101214H2
MFCD04362280
ZINC000019374598
ZINC19374598

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Available files

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