Vitas-M small molecule compound

[4-(3-chlorophenyl)piperazin-1-yl](4,4-dioxido-3-phenyl-5,6-dihydro-1,4-oxathiin-2-yl)methanone

Catalog ID
STK655366
SMILES Clc1cccc(c1)N1CCN(CC1)C(=O)C1=C(c2ccccc2)S(=O)(=O)CCO1

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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 C21H21ClN2O4S MW 432.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21ClN2O4S/c22-17-7-4-8-18(15-17)23-9-11-24(12-10-23)21(25)19-20(16-5-2-1-3-6-16)29(26,27)14-13-28-19/h1-8,15H,9-14H2
InChIKey
JMBIQTMAJKMETG-UHFFFAOYSA-N
Synonyms
1144430-52-3
(4(3chlorophenyl)piperazin1yl)(44dioxido3phenyl56dihydro14oxathiin2yl)methanone
(4(3chlorophenyl)piperazin1yl)(44dioxo5phenyl23dihydro14oxathiin6yl)methanone
1144430523
C1CN(CCN1C2=CC(=CC=C2)Cl)C(=O)C3=C(S(=O)(=O)CCO3)C4=CC=CC=C4
InChI=1SC21H21ClN2O4Sc221774818(1517)2391124(121023)21(25)1920(165213616)29(2627)14132819h1815H914H2
MFCD12216022
ZINC000032097140
ZINC32097140

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Available files

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