Vitas-M small molecule compound
N-(2,4-dimethylphenyl)-2,8-dimethyl-3-phenyl-4-thioxo-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide
Catalog ID
STL192524
SMILES Cc1ccc2c(c1)C1NC(=S)N(C(O2)(C1C(=O)Nc1ccc(cc1C)C)C)c1ccccc1
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We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C27H27N3O2S MW 457.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27N3O2S/c1-16-10-12-21(18(3)14-16)28-25(31)23-24-20-15-17(2)11-13-22(20)32-27(23,4)30(26(33)29-24)19-8-6-5-7-9-19/h5-15,23-24H,1-4H3,(H,28,31)(H,29,33)InChIKey
WLZANHQLUQKNNV-UHFFFAOYSA-NSynonyms
1023485-54-21023485542
CC1=CC(=C(C=C1)NC(=O)C2C3C4=C(C=CC(=C4)C)OC2(N(C(=S)N3)C5=CC=CC=C5)C)C
InChI=1SC27H27N3O2Sc116101221(18(3)1416)2825(31)2324201517(2)111322(20)3227(234)30(26(33)2924)198657919h5152324H14H3(H2831)(H2933)
MFCD15086063
N(24dimethylphenyl)28dimethyl3phenyl4thioxo3456tetrahydro2H26methano135benzoxadiazocine11carboxamide
ZINC000100031348
ZINC000100031351
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