Vitas-M small molecule compound

1-(1,3-benzodioxol-5-ylmethyl)-4-[(4-bromo-3-ethoxyphenyl)sulfonyl]piperazine

Catalog ID
STK354052
SMILES CCOc1cc(ccc1Br)S(=O)(=O)N1CCN(CC1)Cc1ccc2c(c1)OCO2

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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 C20H23BrN2O5S MW 483.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H23BrN2O5S/c1-2-26-19-12-16(4-5-17(19)21)29(24,25)23-9-7-22(8-10-23)13-15-3-6-18-20(11-15)28-14-27-18/h3-6,11-12H,2,7-10,13-14H2,1H3
InChIKey
PBKNVUUUIABUJA-UHFFFAOYSA-N
Synonyms
879052-48-9
1(13benzodioxol5ylmethyl)4((4bromo3ethoxyphenyl)sulfonyl)piperazine
1(13BENZODIOXOL5YLMETHYL)4(4BROMO3ETHOXYPHENYL)SULFONYLPIPERAZINE
1BENZO(13)DIOXOL5YLMETHYL4(4BROMO3ETHOXYBENZENESULFONYL)PIPERAZINE
4((4(2HBENZO(34D)13DIOXOLEN5YLMETHYL)PIPERAZINYL)SULFONYL)1BROMO2ETHOXYBENZENE
879052489
CCOC1=C(C=CC(=C1)S(=O)(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)Br
InChI=1SC20H23BrN2O5Sc1226191216(4517(19)21)29(2425)239722(81023)1315361820(1115)28142718h361112H27101314H21H3
MFCD07402974
ZINC000013568780
ZINC13568780

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Available files

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