Vitas-M small molecule compound
8-chloro-N-(2,4-dimethylphenyl)-2-methyl-3-(2-phenylethyl)-4-thioxo-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide
Catalog ID
STL192540
SMILES O=C(C1C2NC(=S)N(C1(C)Oc1c2cc(Cl)cc1)CCc1ccccc1)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 C28H28ClN3O2S MW 506.07 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H28ClN3O2S/c1-17-9-11-22(18(2)15-17)30-26(33)24-25-21-16-20(29)10-12-23(21)34-28(24,3)32(27(35)31-25)14-13-19-7-5-4-6-8-19/h4-12,15-16,24-25H,13-14H2,1-3H3,(H,30,33)(H,31,35)InChIKey
UJENOMCQGGOMEM-UHFFFAOYSA-NSynonyms
1794818-81-71794818817
8chloroN(24dimethylphenyl)2methyl3(2phenylethyl)4thioxo3456tetrahydro2H26methano135benzoxadiazocine11carboxamide
CC1=CC(=C(C=C1)NC(=O)C2C3C4=C(C=CC(=C4)Cl)OC2(N(C(=S)N3)CCC5=CC=CC=C5)C)C
InChI=1SC28H28ClN3O2Sc11791122(18(2)1517)3026(33)2425211620(29)101223(21)3428(243)32(27(35)3125)1413197546819h41215162425H1314H213H3(H3033)(H3135)
MFCD22390745
ZINC000100031255
ZINC000100031258
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