Vitas-M small molecule compound
tricyclo[3.3.1.1~3,7~]dec-1-yl 4-bromo-3-nitrobenzoate
Catalog ID
STK247336
SMILES O=C(c1ccc(c(c1)[N+](=O)[O-])Br)OC12CC3CC(C2)CC(C1)C3
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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 C17H18BrNO4 MW 380.24 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H18BrNO4/c18-14-2-1-13(6-15(14)19(21)22)16(20)23-17-7-10-3-11(8-17)5-12(4-10)9-17/h1-2,6,10-12H,3-5,7-9H2InChIKey
FUOADERLNHBYPA-UHFFFAOYSA-NSynonyms
1ADAMANTYL4BROMO3NITROBENZOATE
ADAMANTANYL4BROMO3NITROBENZOATE
C1C2CC3CC1CC(C2)(C3)OC(=O)C4=CC(=C(C=C4)Br)(N+)(=O)(O)
InChI=1SC17H18BrNO4c18142113(615(14)19(21)22)16(20)2317710311(817)512(410)917h1261012H3579H2
MFCD02068098
O=C(c1ccc(c(c1)(N+)(=O)(O))Br)OC12CC3CC(C2)CC(C1)C3
tricyclo(3311~37~)dec1yl4bromo3nitrobenzoate
ZINC000004506445
ZINC04506445
ZINC4506445
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