Vitas-M small molecule compound
3-(4-bromophenyl)-2-methyl-8-nitro-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione
Catalog ID
STL092791
SMILES Brc1ccc(cc1)N1C(=S)NC2CC1(C)Oc1c2cc(cc1)[N+](=O)[O-]
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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 C17H14BrN3O3S MW 420.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H14BrN3O3S/c1-17-9-14(13-8-12(21(22)23)6-7-15(13)24-17)19-16(25)20(17)11-4-2-10(18)3-5-11/h2-8,14H,9H2,1H3,(H,19,25)InChIKey
DUPFUIKZKPQPEC-UHFFFAOYSA-NSynonyms
3(4bromophenyl)2methyl8nitro2356tetrahydro4H26methano135benzoxadiazocine4thione
Brc1ccc(cc1)N1C(=S)NC2CC1(C)Oc1c2cc(cc1)(N+)(=O)(O)
CC12CC(C3=C(O1)C=CC(=C3)(N+)(=O)(O))NC(=S)N2C4=CC=C(C=C4)Br
InChI=1SC17H14BrN3O3Sc117914(13812(21(22)23)6715(13)2417)1916(25)20(17)114210(18)3511h2814H9H21H3(H1925)
MFCD15086297
ZINC000002963703
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