Vitas-M small molecule compound
3-(5-bromo-3-nitro-1H-1,2,4-triazol-1-yl)-N-methyl-N-(tricyclo[3.3.1.1~3,7~]dec-1-yl)tricyclo[3.3.1.1~3,7~]decane-1-carboxamide
Catalog ID
STL174961
SMILES O=C(C12CC3CC(C1)CC(C2)(C3)n1nc(nc1Br)[N+](=O)[O-])N(C12CC3CC(C2)CC(C1)C3)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 C24H32BrN5O3 MW 518.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H32BrN5O3/c1-28(23-8-14-2-15(9-23)4-16(3-14)10-23)19(31)22-6-17-5-18(7-22)12-24(11-17,13-22)29-20(25)26-21(27-29)30(32)33/h14-18H,2-13H2,1H3InChIKey
URPGJSVLNBLNOR-UHFFFAOYSA-NSynonyms
3(5bromo3nitro1H124triazol1yl)NmethylN(tricyclo(3311~37~)dec1yl)tricyclo(3311~37~)decane1carboxamide
CN(C(=O)C12CC3CC(C1)CC(C3)(C2)N4C(=NC(=N4)(N+)(=O)(O))Br)C56CC7CC(C5)CC(C7)C6
InChI=1SC24H32BrN5O3c128(23814215(923)416(314)1023)19(31)22617518(722)1224(11171322)2920(25)2621(2729)30(32)33h1418H213H21H3
MFCD03071607
N(1adamantyl)3(5bromo3nitro124triazol1yl)Nmethyladamantane1carboxamide
O=C(C12CC3CC(C1)CC(C2)(C3)n1nc(nc1Br)(N+)(=O)(O))N(C12CC3CC(C2)CC(C1)C3)C
ZINC000015931489
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