Vitas-M small molecule compound
N-(2,4-dimethylphenyl)-10-ethoxy-2-methyl-3-(2-phenylethyl)-4-thioxo-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide
Catalog ID
STL192553
SMILES CCOc1cccc2c1OC1(C)N(CCc3ccccc3)C(=S)NC2C1C(=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 C30H33N3O3S MW 515.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H33N3O3S/c1-5-35-24-13-9-12-22-26-25(28(34)31-23-15-14-19(2)18-20(23)3)30(4,36-27(22)24)33(29(37)32-26)17-16-21-10-7-6-8-11-21/h6-15,18,25-26H,5,16-17H2,1-4H3,(H,31,34)(H,32,37)InChIKey
WFJSKHHNVDNZFU-UHFFFAOYSA-NSynonyms
1024068-57-21024068572
CCOC1=CC=CC2=C1OC3(C(C2NC(=S)N3CCC4=CC=CC=C4)C(=O)NC5=C(C=C(C=C5)C)C)C
InChI=1SC30H33N3O3Sc15352413912222625(28(34)3123151419(2)1820(23)3)30(43627(22)24)33(29(37)3226)171621107681121h615182526H51617H214H3(H3134)(H3237)
MFCD15086041
N(24dimethylphenyl)10ethoxy2methyl3(2phenylethyl)4thioxo3456tetrahydro2H26methano135benzoxadiazocine11carboxamide
ZINC000104786215
ZINC000242701481
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