Vitas-M small molecule compound
3-(1-{[2,6-dinitro-4-(trifluoromethyl)phenyl]amino}ethyl)tricyclo[3.3.1.1~3,7~]decan-1-ol
Catalog ID
STK010936
SMILES CC(C12CC3CC(C1)CC(C2)(C3)O)Nc1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[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 C19H22F3N3O5 MW 429.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H22F3N3O5/c1-10(17-5-11-2-12(6-17)8-18(26,7-11)9-17)23-16-14(24(27)28)3-13(19(20,21)22)4-15(16)25(29)30/h3-4,10-12,23,26H,2,5-9H2,1H3InChIKey
BKGQDHJNBGUGPK-UHFFFAOYSA-NSynonyms
(1s3r5R7S)3(1((26dinitro4(trifluoromethyl)phenyl)amino)ethyl)adamantan1ol
3(((26DINITRO4(TRIFLUOROMETHYL)PHENYL)AMINO)ETHYL)ADAMANTAN1OL
3(1((26dinitro4(trifluoromethyl)phenyl)amino)ethyl)tricyclo(3311~37~)decan1ol
3(1(26DINITRO4(TRIFLUOROMETHYL)ANILINO)ETHYL)ADAMANTAN1OL
CC(C12C(C@@H)3C(C@H)(C1)CC(C2)(C3)O)Nc1c(cc(cc1(N+)(=O)(O))C(F)(F)F)(N+)(=O)(O)
CC(C12CC3CC(C1)CC(C2)(C3)O)Nc1c(cc(cc1(N+)(=O)(O))C(F)(F)F)(N+)(=O)(O)
CC(C12CC3CC(C1)CC(C3)(C2)O)NC4=C(C=C(C=C4(N+)(=O)(O))C(F)(F)F)(N+)(=O)(O)
InChI=1SC19H22F3N3O5c110(17511212(617)818(26711)917)231614(24(27)28)313(19(2021)22)415(16)25(29)30h3410122326H259H21H3
MFCD01907121
STK010936
ZINC000224057073
ZINC000224057135
Check stock
See real-time availability and sample size for STK010936 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.