Vitas-M small molecule compound
methyl 8-bromo-2-methyl-4-thioxo-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxylate
Catalog ID
STL094738
SMILES CC12NC(=S)NC(C2C(=O)OC)c2c(O1)ccc(c2)Br
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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 C13H13BrN2O3S MW 357.23 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H13BrN2O3S/c1-13-9(11(17)18-2)10(15-12(20)16-13)7-5-6(14)3-4-8(7)19-13/h3-5,9-10H,1-2H3,(H2,15,16,20)InChIKey
SNNSFPBFAWIVPI-UHFFFAOYSA-NSynonyms
CC12C(C(C3=C(O1)C=CC(=C3)Br)NC(=S)N2)C(=O)OC
InChI=1SC13H13BrN2O3Sc1139(11(17)182)10(1512(20)1613)756(14)348(7)1913h35910H12H3(H2151620)
methyl8bromo2methyl4thioxo3456tetrahydro2H26methano135benzoxadiazocine11carboxylate
MFCD18788180
ZINC000106550058
ZINC000226306292
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