Vitas-M small molecule compound
N-(2,4-dimethylphenyl)-10-ethoxy-2-methyl-3-phenyl-4-thioxo-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide
Catalog ID
STL192542
SMILES CCOc1cccc2c1OC1(C)C(C2NC(=S)N1c1ccccc1)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 C28H29N3O3S MW 487.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H29N3O3S/c1-5-33-22-13-9-12-20-24-23(26(32)29-21-15-14-17(2)16-18(21)3)28(4,34-25(20)22)31(27(35)30-24)19-10-7-6-8-11-19/h6-16,23-24H,5H2,1-4H3,(H,29,32)(H,30,35)InChIKey
KXGJUKGCVKNQOV-UHFFFAOYSA-NSynonyms
1024068-50-51024068505
CCOC1=CC=CC2=C1OC3(C(C2NC(=S)N3C4=CC=CC=C4)C(=O)NC5=C(C=C(C=C5)C)C)C
InChI=1SC28H29N3O3Sc15332213912202423(26(32)2921151417(2)1618(21)3)28(43425(20)22)31(27(35)3024)19107681119h6162324H5H214H3(H2932)(H3035)
MFCD15086035
N(24dimethylphenyl)10ethoxy2methyl3phenyl4thioxo3456tetrahydro2H26methano135benzoxadiazocine11carboxamide
ZINC000242547871
ZINC000242547872
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