Vitas-M small molecule compound
3-(4-chlorophenyl)-N-(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
STL192548
SMILES CCOc1cccc2c1OC1(C)C(C2NC(=S)N1c1ccc(cc1)Cl)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 C28H28ClN3O3S MW 522.07 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H28ClN3O3S/c1-5-34-22-8-6-7-20-24-23(26(33)30-21-14-9-16(2)15-17(21)3)28(4,35-25(20)22)32(27(36)31-24)19-12-10-18(29)11-13-19/h6-15,23-24H,5H2,1-4H3,(H,30,33)(H,31,36)InChIKey
VITVBIUCRLFQTQ-UHFFFAOYSA-NSynonyms
1024068-54-91024068549
3(4chlorophenyl)N(24dimethylphenyl)10ethoxy2methyl4thioxo3456tetrahydro2H26methano135benzoxadiazocine11carboxamide
CCOC1=CC=CC2=C1OC3(C(C2NC(=S)N3C4=CC=C(C=C4)Cl)C(=O)NC5=C(C=C(C=C5)C)C)C
InChI=1SC28H28ClN3O3Sc153422867202423(26(33)302114916(2)1517(21)3)28(43525(20)22)32(27(36)3124)19121018(29)111319h6152324H5H214H3(H3033)(H3136)
MFCD15086038
ZINC000242688166
ZINC000242688167
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