Vitas-M small molecule compound
ethyl 3-(4-ethoxyphenyl)-2-methyl-4-thioxo-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxylate
Catalog ID
STL094328
SMILES CCOC(=O)C1C2NC(=S)N(C1(C)Oc1c2cccc1)c1ccc(cc1)OCC
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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/c1-4-26-15-12-10-14(11-13-15)24-21(29)23-19-16-8-6-7-9-17(16)28-22(24,3)18(19)20(25)27-5-2/h6-13,18-19H,4-5H2,1-3H3,(H,23,29)InChIKey
VHXSGRYNDNLBRB-UHFFFAOYSA-NSynonyms
CCOC1=CC=C(C=C1)N2C(=S)NC3C(C2(OC4=CC=CC=C34)C)C(=O)OCC
ethyl3(4ethoxyphenyl)2methyl4thioxo3456tetrahydro2H26methano135benzoxadiazocine11carboxylate
InChI=1SC22H24N2O4Sc142615121014(111315)2421(29)231916867917(16)2822(243)18(19)20(25)2752h6131819H45H213H3(H2329)
MFCD18788110
ZINC000102906565
ZINC000106549915
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