Vitas-M small molecule compound
ethyl 3-(4-ethylphenyl)-10-methoxy-2-methyl-4-thioxo-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxylate
Catalog ID
STL094424
SMILES CCOC(=O)C1C2NC(=S)N(C1(C)Oc1c2cccc1OC)c1ccc(cc1)CC
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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 C23H26N2O4S MW 426.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H26N2O4S/c1-5-14-10-12-15(13-11-14)25-22(30)24-19-16-8-7-9-17(27-4)20(16)29-23(25,3)18(19)21(26)28-6-2/h7-13,18-19H,5-6H2,1-4H3,(H,24,30)InChIKey
ZHTBDLHILCXXHJ-UHFFFAOYSA-NSynonyms
1024393-39-21024393392
CCC1=CC=C(C=C1)N2C(=S)NC3C(C2(OC4=C3C=CC=C4OC)C)C(=O)OCC
ethyl3(4ethylphenyl)10methoxy2methyl4thioxo3456tetrahydro2H26methano135benzoxadiazocine11carboxylate
InChI=1SC23H26N2O4Sc1514101215(131114)2522(30)24191687917(274)20(16)2923(253)18(19)21(26)2862h7131819H56H214H3(H2430)
MFCD15085866
ZINC000100029676
ZINC000104784941
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