Vitas-M small molecule compound
methyl 3-{[6-(2-chlorobenzyl)-1,1-dioxido-1,2,6-thiadiazinan-2-yl]methyl}-4-methoxybenzoate
Catalog ID
STL131318
SMILES COC(=O)c1ccc(c(c1)CN1CCCN(S1(=O)=O)Cc1ccccc1Cl)OC
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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 C20H23ClN2O5S MW 438.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H23ClN2O5S/c1-27-19-9-8-15(20(24)28-2)12-17(19)14-23-11-5-10-22(29(23,25)26)13-16-6-3-4-7-18(16)21/h3-4,6-9,12H,5,10-11,13-14H2,1-2H3InChIKey
PLOHYESEXIUXHB-UHFFFAOYSA-NSynonyms
COC1=C(C=C(C=C1)C(=O)OC)CN2CCCN(S2(=O)=O)CC3=CC=CC=C3Cl
InChI=1SC20H23ClN2O5Sc127199815(20(24)282)1217(19)14231151022(29(2325)26)1316634718(16)21h346912H510111314H212H3
methyl3((6((2chlorophenyl)methyl)11dioxo126thiadiazinan2yl)methyl)4methoxybenzoate
methyl3((6(2chlorobenzyl)11dioxido126thiadiazinan2yl)methyl)4methoxybenzoate
MFCD20751256
ZINC000067335087
ZINC67335087
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