Vitas-M small molecule compound

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

Catalog ID
STL141891
SMILES COc1cccc2c1OC1(C)C(C2NC(=S)N1c1ccccc1C)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/c1-16-13-14-20(18(3)15-16)29-26(32)23-24-19-10-8-12-22(33-5)25(19)34-28(23,4)31(27(35)30-24)21-11-7-6-9-17(21)2/h6-15,23-24H,1-5H3,(H,29,32)(H,30,35)
InChIKey
KQELEKXJYCZBQF-UHFFFAOYSA-N
Synonyms
1023527-31-2
1023527312
CC1=CC(=C(C=C1)NC(=O)C2C3C4=C(C(=CC=C4)OC)OC2(N(C(=S)N3)C5=CC=CC=C5C)C)C
InChI=1SC28H29N3O3Sc116131420(18(3)1516)2926(32)2324191081222(335)25(19)3428(234)31(27(35)3024)211176917(21)2h6152324H15H3(H2932)(H3035)
MFCD15086201
N(24dimethylphenyl)10methoxy2methyl3(2methylphenyl)4thioxo3456tetrahydro2H26methano135benzoxadiazocine11carboxamide
ZINC000100031719
ZINC000100031723

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Available files

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