Vitas-M small molecule compound
ethyl 3-(4-methoxybenzyl)-2-methyl-4-thioxo-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxylate
Catalog ID
STL092836
SMILES CCOC(=O)C1C2NC(=S)N(C1(C)Oc1c2cccc1)Cc1ccc(cc1)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 C22H24N2O4S MW 412.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H24N2O4S/c1-4-27-20(25)18-19-16-7-5-6-8-17(16)28-22(18,2)24(21(29)23-19)13-14-9-11-15(26-3)12-10-14/h5-12,18-19H,4,13H2,1-3H3,(H,23,29)InChIKey
GRTUZAFHIUONIW-UHFFFAOYSA-NSynonyms
1024393-53-01024393530
CCOC(=O)C1C2C3=CC=CC=C3OC1(N(C(=S)N2)CC4=CC=C(C=C4)OC)C
ethyl3(4methoxybenzyl)2methyl4thioxo3456tetrahydro2H26methano135benzoxadiazocine11carboxylate
InChI=1SC22H24N2O4Sc142720(25)181916756817(16)2822(182)24(21(29)2319)131491115(263)121014h5121819H413H213H3(H2329)
MFCD15085877
ZINC000100029998
ZINC000100030001
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