Vitas-M small molecule compound
N-(2,4-dimethylphenyl)-3-(3-fluorophenyl)-2-methyl-4-thioxo-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide
Catalog ID
STL141955
SMILES Cc1ccc(c(c1)C)NC(=O)C1C2NC(=S)N(C1(C)Oc1c2cccc1)c1cccc(c1)F
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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 C26H24FN3O2S MW 461.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H24FN3O2S/c1-15-11-12-20(16(2)13-15)28-24(31)22-23-19-9-4-5-10-21(19)32-26(22,3)30(25(33)29-23)18-8-6-7-17(27)14-18/h4-14,22-23H,1-3H3,(H,28,31)(H,29,33)InChIKey
QPIJPZLYWTUAFF-UHFFFAOYSA-NSynonyms
1023527-29-81023527298
CC1=CC(=C(C=C1)NC(=O)C2C3C4=CC=CC=C4OC2(N(C(=S)N3)C5=CC(=CC=C5)F)C)C
InChI=1SC26H24FN3O2Sc115111220(16(2)1315)2824(31)2223199451021(19)3226(223)30(25(33)2923)1886717(27)1418h4142223H13H3(H2831)(H2933)
MFCD15086198
N(24dimethylphenyl)3(3fluorophenyl)2methyl4thioxo3456tetrahydro2H26methano135benzoxadiazocine11carboxamide
ZINC000100032284
ZINC000100032289
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