Vitas-M small molecule compound

N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-methoxybenzyl)-3-phenyl-5,6-dihydro-1,4-oxathiine-2-carboxamide

Catalog ID
STK643641
SMILES COc1ccc(cc1)CN(C(=O)C1=C(SCCO1)c1ccccc1)C1CCS(=O)(=O)C1

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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 C23H25NO5S2 MW 459.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H25NO5S2/c1-28-20-9-7-17(8-10-20)15-24(19-11-14-31(26,27)16-19)23(25)21-22(30-13-12-29-21)18-5-3-2-4-6-18/h2-10,19H,11-16H2,1H3
InChIKey
PNSUKSMFOHIJMQ-UHFFFAOYSA-N
Synonyms
1018126-39-0
1018126390
COC1=CC=C(C=C1)CN(C2CCS(=O)(=O)C2)C(=O)C3=C(SCCO3)C4=CC=CC=C4
InChI=1SC23H25NO5S2c128209717(81020)1524(19111431(2627)1619)23(25)2122(3013122921)185324618h21019H1116H21H3
MFCD12207565
N(11dioxidotetrahydrothiophen3yl)N(4methoxybenzyl)3phenyl56dihydro14oxathiine2carboxamide
N(11dioxothiolan3yl)N((4methoxyphenyl)methyl)5phenyl23dihydro14oxathiine6carboxamide
ZINC000020728446
ZINC000020728450

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Available files

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