Vitas-M small molecule compound
8-bromo-N-(4-methoxyphenyl)-2-methyl-4-thioxo-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide
Catalog ID
STL141946
SMILES COc1ccc(cc1)NC(=O)C1C2NC(=S)NC1(C)Oc1c2cc(Br)cc1
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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 C19H18BrN3O3S MW 448.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H18BrN3O3S/c1-19-15(17(24)21-11-4-6-12(25-2)7-5-11)16(22-18(27)23-19)13-9-10(20)3-8-14(13)26-19/h3-9,15-16H,1-2H3,(H,21,24)(H2,22,23,27)InChIKey
CVGKAWFDNZPPTK-UHFFFAOYSA-NSynonyms
1005063-52-41005063524
8bromoN(4methoxyphenyl)2methyl4thioxo3456tetrahydro2H26methano135benzoxadiazocine11carboxamide
CC12C(C(C3=C(O1)C=CC(=C3)Br)NC(=S)N2)C(=O)NC4=CC=C(C=C4)OC
InChI=1SC19H18BrN3O3Sc11915(17(24)21114612(252)7511)16(2218(27)2319)13910(20)3814(13)2619h391516H12H3(H2124)(H2222327)
MFCD15085998
ZINC000104785914
ZINC000104785916
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