Vitas-M small molecule compound
methyl 3-{[6-(3-chlorobenzyl)-1,1-dioxido-1,2,6-thiadiazinan-2-yl]methyl}-4-methoxybenzoate
Catalog ID
STL131307
SMILES COC(=O)c1ccc(c(c1)CN1CCCN(S1(=O)=O)Cc1cccc(c1)Cl)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/c1-27-19-8-7-16(20(24)28-2)12-17(19)14-23-10-4-9-22(29(23,25)26)13-15-5-3-6-18(21)11-15/h3,5-8,11-12H,4,9-10,13-14H2,1-2H3InChIKey
FHERIJMFZPKYBH-UHFFFAOYSA-NSynonyms
COC1=C(C=C(C=C1)C(=O)OC)CN2CCCN(S2(=O)=O)CC3=CC(=CC=C3)Cl
InChI=1SC20H23ClN2O5Sc127198716(20(24)282)1217(19)1423104922(29(2325)26)131553618(21)1115h3581112H49101314H212H3
methyl3((6((3chlorophenyl)methyl)11dioxo126thiadiazinan2yl)methyl)4methoxybenzoate
methyl3((6(3chlorobenzyl)11dioxido126thiadiazinan2yl)methyl)4methoxybenzoate
MFCD14925293
ZINC000015725836
ZINC15725836
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