Vitas-M small molecule compound
N-(4-chlorophenyl)-3-(4-fluorophenyl)-10-methoxy-2-methyl-4-thioxo-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide
Catalog ID
STL166019
SMILES COc1cccc2c1OC1(C)C(C2NC(=S)N1c1ccc(cc1)F)C(=O)Nc1ccc(cc1)Cl
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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 C25H21ClFN3O3S MW 497.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21ClFN3O3S/c1-25-20(23(31)28-16-10-6-14(26)7-11-16)21(18-4-3-5-19(32-2)22(18)33-25)29-24(34)30(25)17-12-8-15(27)9-13-17/h3-13,20-21H,1-2H3,(H,28,31)(H,29,34)InChIKey
HIKDVBVJJVFCSJ-UHFFFAOYSA-NSynonyms
CC12C(C(C3=C(O1)C(=CC=C3)OC)NC(=S)N2C4=CC=C(C=C4)F)C(=O)NC5=CC=C(C=C5)Cl
InChI=1SC25H21ClFN3O3Sc12520(23(31)281610614(26)71116)21(1843519(322)22(18)3325)2924(34)30(25)1712815(27)91317h3132021H12H3(H2831)(H2934)
MFCD15085916
N(4chlorophenyl)3(4fluorophenyl)10methoxy2methyl4thioxo3456tetrahydro2H26methano135benzoxadiazocine11carboxamide
ZINC000242498493
ZINC000242498494
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