Vitas-M small molecule compound
8-bromo-3-(4-fluorophenyl)-N,N,2-trimethyl-4-thioxo-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide
Catalog ID
STL081233
SMILES Fc1ccc(cc1)N1C(=S)NC2C(C1(C)Oc1c2cc(cc1)Br)C(=O)N(C)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 C20H19BrFN3O2S MW 464.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19BrFN3O2S/c1-20-16(18(26)24(2)3)17(14-10-11(21)4-9-15(14)27-20)23-19(28)25(20)13-7-5-12(22)6-8-13/h4-10,16-17H,1-3H3,(H,23,28)InChIKey
VGFGSKYLKRDDIW-UHFFFAOYSA-NSynonyms
8bromo3(4fluorophenyl)NN2trimethyl4thioxo3456tetrahydro2H26methano135benzoxadiazocine11carboxamide
CC12C(C(C3=C(O1)C=CC(=C3)Br)NC(=S)N2C4=CC=C(C=C4)F)C(=O)N(C)C
InChI=1SC20H19BrFN3O2Sc12016(18(26)24(2)3)17(141011(21)4915(14)2720)2319(28)25(20)137512(22)6813h4101617H13H3(H2328)
MFCD05030012
ZINC000169691438
ZINC000169691439
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