Vitas-M small molecule compound

methyl N-{[2-chloro-4-(1,1-dioxido-1,2-thiazinan-2-yl)phenyl]carbonyl}-beta-alaninate

Catalog ID
STL577667
SMILES COC(=O)CCNC(=O)c1ccc(cc1Cl)N1CCCCS1(=O)=O

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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 C15H19ClN2O5S MW 374.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H19ClN2O5S/c1-23-14(19)6-7-17-15(20)12-5-4-11(10-13(12)16)18-8-2-3-9-24(18,21)22/h4-5,10H,2-3,6-9H2,1H3,(H,17,20)
InChIKey
JJKPCRRULRTUKE-UHFFFAOYSA-N
Synonyms

InChI=1SC15H19ClN2O5Sc12314(19)671715(20)125411(1013(12)16)18823924(1821)22h4510H2369H21H3(H1720)
methyl3(2chloro4(11dioxido12thiazinan2yl)benzamido)propanoate
methylN((2chloro4(11dioxido12thiazinan2yl)phenyl)carbonyl)betaalaninate
MFCD33396486

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Available files

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