Vitas-M small molecule compound
methyl 4-methoxy-3-{[6-(4-methylbenzyl)-1,1-dioxido-1,2,6-thiadiazinan-2-yl]methyl}benzoate
Catalog ID
STL131302
SMILES COc1ccc(cc1CN1CCCN(S1(=O)=O)Cc1ccc(cc1)C)C(=O)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 C21H26N2O5S MW 418.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H26N2O5S/c1-16-5-7-17(8-6-16)14-22-11-4-12-23(29(22,25)26)15-19-13-18(21(24)28-3)9-10-20(19)27-2/h5-10,13H,4,11-12,14-15H2,1-3H3InChIKey
ASPCDFIUFLCLHV-UHFFFAOYSA-NSynonyms
CC1=CC=C(C=C1)CN2CCCN(S2(=O)=O)CC3=C(C=CC(=C3)C(=O)OC)OC
InChI=1SC21H26N2O5Sc1165717(8616)14221141223(29(2225)26)15191318(21(24)283)91020(19)272h51013H411121415H213H3
methyl4methoxy3((6((4methylphenyl)methyl)11dioxo126thiadiazinan2yl)methyl)benzoate
methyl4methoxy3((6(4methylbenzyl)11dioxido126thiadiazinan2yl)methyl)benzoate
MFCD20751255
ZINC000008594452
ZINC8594452
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