Vitas-M small molecule compound

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

Catalog ID
STL352683
SMILES CCCCCN1C(=C(NC(=O)c2ccccc2OC)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/c1-3-4-12-19-30-26(27(31)20-13-6-5-7-14-20)25(22-16-9-11-18-24(22)36(30,33)34)29-28(32)21-15-8-10-17-23(21)35-2/h5-11,13-18H,3-4,12,19H2,1-2H3,(H,29,32)
InChIKey
HMNSUVRNMIPOIA-UHFFFAOYSA-N
Synonyms
840484-90-4
840484904
CCCCCN1C(=C(C2=CC=CC=C2S1(=O)=O)NC(=O)C3=CC=CC=C3OC)C(=O)C4=CC=CC=C4
InChI=1SC28H28N2O5Sc13412193026(27(31)20136571420)25(22169111824(22)36(3033)34)2928(32)21158101723(21)352h5111318H341219H212H3(H2932)
MFCD04007500
N(11dioxido2pentyl3(phenylcarbonyl)2H12benzothiazin4yl)2methoxybenzamide
N(3BENZOYL11DIOXIDO2PENTYL2H12BENZOTHIAZIN4YL)2METHOXYBENZAMIDE
N(3benzoyl11dioxido2pentyl2Hbenzo(e)(12)thiazin4yl)2methoxybenzamide
N(3benzoyl11dioxo2pentyl1$l^(6)2benzothiazin4yl)2methoxybenzamide
ZINC000002264832
ZINC02264832
ZINC2264832

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Available files

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