Vitas-M small molecule compound

N-(2,4-dimethylphenyl)-10-methoxy-2-methyl-3-phenyl-4-thioxo-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide

Catalog ID
STL166048
SMILES COc1cccc2c1OC1(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 C27H27N3O3S MW 473.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27N3O3S/c1-16-13-14-20(17(2)15-16)28-25(31)22-23-19-11-8-12-21(32-4)24(19)33-27(22,3)30(26(34)29-23)18-9-6-5-7-10-18/h5-15,22-23H,1-4H3,(H,28,31)(H,29,34)
InChIKey
ZWRKCEQIEKGQKQ-UHFFFAOYSA-N
Synonyms
1022358-28-6
1022358286
CC1=CC(=C(C=C1)NC(=O)C2C3C4=C(C(=CC=C4)OC)OC2(N(C(=S)N3)C5=CC=CC=C5)C)C
InChI=1SC27H27N3O3Sc116131420(17(2)1516)2825(31)2223191181221(324)24(19)3327(223)30(26(34)2923)1896571018h5152223H14H3(H2831)(H2934)
MFCD15086023
N(24dimethylphenyl)10methoxy2methyl3phenyl4thioxo3456tetrahydro2H26methano135benzoxadiazocine11carboxamide
ZINC000100030958
ZINC000100030961

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Available files

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