Vitas-M small molecule compound
2,4,6-trinitrophenol - 3,3-dimethyl-9-(2-methylprop-2-en-1-yl)-1,2,3,4-tetrahydro-1,4-(epiminomethano)naphthalene (1:1)
Catalog ID
STK011188
SMILES [O-][N+](=O)c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])O.CC(=C)CC1NC2CC(C1c1c2cccc1)(C)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 C23H26N4O7 MW 470.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H23N.C6H3N3O7/c1-11(2)9-14-16-13-8-6-5-7-12(13)15(18-14)10-17(16,3)4;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h5-8,14-16,18H,1,9-10H2,2-4H3;1-2,10HInChIKey
HVLNGRITRYKKEK-UHFFFAOYSA-NSynonyms
(O)(N+)(=O)c1cc((N+)(=O)(O))c(c(c1)(N+)(=O)(O))OCC(=C)CC1NC2CC(C1c1c2cccc1)(C)C
246trinitrophenol33dimethyl9(2methylprop2en1yl)1234tetrahydro14(epiminomethano)naphthalene(11)
CC(=C)CC1C2C3=CC=CC=C3C(N1)CC2(C)CC1=C(C=C(C(=C1(N+)(=O)(O))O)(N+)(=O)(O))(N+)(=O)(O)
InChI=1SC17H23NC6H3N3O7c111(2)9141613865712(13)15(1814)1017(163)41064(8(13)14)13(7(11)12)25(6)9(15)16h58141618H1910H224H31210H
MFCD08689406
STK011188
ZINC000100006431
ZINC000100006434
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