Vitas-M small molecule compound
N-(2,4-dimethylphenyl)-8-methoxy-2-methyl-3-phenyl-4-thioxo-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide
Catalog ID
STL192555
SMILES COc1ccc2c(c1)C1NC(=S)N(C(O2)(C1C(=O)Nc1ccc(cc1C)C)C)c1ccccc1
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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/c1-16-10-12-21(17(2)14-16)28-25(31)23-24-20-15-19(32-4)11-13-22(20)33-27(23,3)30(26(34)29-24)18-8-6-5-7-9-18/h5-15,23-24H,1-4H3,(H,28,31)(H,29,34)InChIKey
RZTXUFHGIGHWPQ-UHFFFAOYSA-NSynonyms
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=1SC27H27N3O3Sc116101221(17(2)1416)2825(31)2324201519(324)111322(20)3327(233)30(26(34)2924)188657918h5152324H14H3(H2831)(H2934)
MFCD15086014
N(24dimethylphenyl)8methoxy2methyl3phenyl4thioxo3456tetrahydro2H26methano135benzoxadiazocine11carboxamide
ZINC000033703469
ZINC000033703471
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