Vitas-M small molecule compound

methyl 3-({[4-(1,1-dioxido-1,2-thiazinan-2-yl)-2,6-dimethylphenyl]sulfonyl}amino)benzoate

Catalog ID
STK636273
SMILES COC(=O)c1cccc(c1)NS(=O)(=O)c1c(C)cc(cc1C)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 C20H24N2O6S2 MW 452.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H24N2O6S2/c1-14-11-18(22-9-4-5-10-29(22,24)25)12-15(2)19(14)30(26,27)21-17-8-6-7-16(13-17)20(23)28-3/h6-8,11-13,21H,4-5,9-10H2,1-3H3
InChIKey
MIWYBQUFLHGDLH-UHFFFAOYSA-N
Synonyms
919981-19-4
919981194
CC1=CC(=CC(=C1S(=O)(=O)NC2=CC=CC(=C2)C(=O)OC)C)N3CCCCS3(=O)=O
InChI=1SC20H24N2O6S2c1141118(229451029(2224)25)1215(2)19(14)30(2627)211786716(1317)20(23)283h68111321H45910H213H3
methyl3(((4(11dioxido12thiazinan2yl)26dimethylphenyl)sulfonyl)amino)benzoate
methyl3((4(11dioxothiazinan2yl)26dimethylphenyl)sulfonylamino)benzoate
methyl3(4(11dioxido12thiazinan2yl)26dimethylphenylsulfonamido)benzoate
MFCD10044326
ZINC000011906625
ZINC11906625

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Available files

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