Vitas-M small molecule compound
ethyl 2-methyl-3-phenyl-4-thioxo-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxylate
Catalog ID
STL080867
SMILES CCOC(=O)C1C2NC(=S)N(C1(C)Oc1c2cccc1)c1ccccc1
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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 C20H20N2O3S MW 368.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20N2O3S/c1-3-24-18(23)16-17-14-11-7-8-12-15(14)25-20(16,2)22(19(26)21-17)13-9-5-4-6-10-13/h4-12,16-17H,3H2,1-2H3,(H,21,26)InChIKey
UQRDCTYGKBRXAI-UHFFFAOYSA-NSynonyms
1217652-04-41217652044
CCOC(=O)C1C2C3=CC=CC=C3OC1(N(C(=S)N2)C4=CC=CC=C4)C
ethyl2methyl3phenyl4thioxo3456tetrahydro2H26methano135benzoxadiazocine11carboxylate
InChI=1SC20H20N2O3Sc132418(23)16171411781215(14)2520(162)22(19(26)2117)1395461013h4121617H3H212H3(H2126)
MFCD05032601
ZINC000002095786
ZINC000100071961
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