Vitas-M small molecule compound
N,3-bis(2,4-dimethylphenyl)-10-ethoxy-2-methyl-4-thioxo-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide
Catalog ID
STL165993
SMILES CCOc1cccc2c1OC1(C)C(C2NC(=S)N1c1ccc(cc1C)C)C(=O)Nc1ccc(cc1C)C
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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 C30H33N3O3S MW 515.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H33N3O3S/c1-7-35-24-10-8-9-21-26-25(28(34)31-22-13-11-17(2)15-19(22)4)30(6,36-27(21)24)33(29(37)32-26)23-14-12-18(3)16-20(23)5/h8-16,25-26H,7H2,1-6H3,(H,31,34)(H,32,37)InChIKey
ZEQBMYMDYDMBKH-UHFFFAOYSA-NSynonyms
1351771-63-51351771635
CCOC1=CC=CC2=C1OC3(C(C2NC(=S)N3C4=C(C=C(C=C4)C)C)C(=O)NC5=C(C=C(C=C5)C)C)C
InChI=1SC30H33N3O3Sc1735241089212625(28(34)3122131117(2)1519(22)4)30(63627(21)24)33(29(37)3226)23141218(3)1620(23)5h8162526H7H216H3(H3134)(H3237)
MFCD20734622
N3bis(24dimethylphenyl)10ethoxy2methyl4thioxo3456tetrahydro2H26methano135benzoxadiazocine11carboxamide
ZINC000216321169
ZINC000216321260
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