Vitas-M small molecule compound
N-(2,4-dimethylphenyl)-3-ethyl-10-methoxy-2-methyl-4-thioxo-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide
Catalog ID
STL192563
SMILES CCN1C(=S)NC2C(C1(C)Oc1c2cccc1OC)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 C23H27N3O3S MW 425.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H27N3O3S/c1-6-26-22(30)25-19-15-8-7-9-17(28-5)20(15)29-23(26,4)18(19)21(27)24-16-11-10-13(2)12-14(16)3/h7-12,18-19H,6H2,1-5H3,(H,24,27)(H,25,30)InChIKey
JOLMJGXXZSPWFC-UHFFFAOYSA-NSynonyms
CCN1C(=S)NC2C(C1(OC3=C2C=CC=C3OC)C)C(=O)NC4=C(C=C(C=C4)C)C
InChI=1SC23H27N3O3Sc162622(30)25191587917(285)20(15)2923(264)18(19)21(27)2416111013(2)1214(16)3h7121819H6H215H3(H2427)(H2530)
MFCD15086206
N(24dimethylphenyl)3ethyl10methoxy2methyl4thioxo3456tetrahydro2H26methano135benzoxadiazocine11carboxamide
ZINC000100031767
ZINC000245343249
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