Vitas-M small molecule compound

N-[1,1-dioxido-2-pentyl-3-(phenylcarbonyl)-2H-1,2-benzothiazin-4-yl]-2-phenoxyacetamide

Catalog ID
STK860008
SMILES CCCCCN1C(=C(NC(=O)COc2ccccc2)c2c(S1(=O)=O)cccc2)C(=O)c1ccccc1

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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 C28H28N2O5S MW 504.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H28N2O5S/c1-2-3-12-19-30-27(28(32)21-13-6-4-7-14-21)26(23-17-10-11-18-24(23)36(30,33)34)29-25(31)20-35-22-15-8-5-9-16-22/h4-11,13-18H,2-3,12,19-20H2,1H3,(H,29,31)
InChIKey
MWTAHOMOPLXLJY-UHFFFAOYSA-N
Synonyms
585552-68-7
585552687
CCCCCN1C(=C(C2=CC=CC=C2S1(=O)=O)NC(=O)COC3=CC=CC=C3)C(=O)C4=CC=CC=C4
InChI=1SC28H28N2O5Sc12312193027(28(32)21136471421)26(231710111824(23)36(3033)34)2925(31)203522158591622h4111318H23121920H21H3(H2931)
MFCD04030044
N(11dioxido2pentyl3(phenylcarbonyl)2H12benzothiazin4yl)2phenoxyacetamide
N(3BENZOYL11DIOXIDO2PENTYL2H12BENZOTHIAZIN4YL)2PHENOXYACETAMIDE
N(3benzoyl11dioxido2pentyl2Hbenzo(e)(12)thiazin4yl)2phenoxyacetamide
N(3benzoyl11dioxo2pentyl1$l^(6)2benzothiazin4yl)2phenoxyacetamide
ZINC000002391538
ZINC02391538
ZINC2391538

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Available files

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