Vitas-M small molecule compound
2,4,6-trinitrophenol - (2S,6R)-4-methyl-2,6-di(prop-2-en-1-yl)-1,2,3,6-tetrahydropyridine (1:1)
Catalog ID
STK078510
SMILES [O-][N+](=O)c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])O.C=CC[C@@H]1N[C@H](CC=C)C=C(C1)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 C18H22N4O7 MW 406.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H19N.C6H3N3O7/c1-4-6-11-8-10(3)9-12(13-11)7-5-2;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h4-5,8,11-13H,1-2,6-7,9H2,3H3;1-2,10H/t11-,12+;/m1./s1InChIKey
ULJURCUAOAVFIB-LYCTWNKOSA-NSynonyms
(2S6R)4methyl26bis(prop2enyl)1236tetrahydropyridine246trinitrophenol
(O)(N+)(=O)c1cc((N+)(=O)(O))c(c(c1)(N+)(=O)(O))OC=CC(C@@H)1N(C@H)(CC=C)C=C(C1)C
246trinitrophenol(2S6R)4methyl26di(prop2en1yl)1236tetrahydropyridine(11)
CC1=CC(NC(C1)CC=C)CC=CC1=C(C=C(C(=C1(N+)(=O)(O))O)(N+)(=O)(O))(N+)(=O)(O)
InChI=1SC12H19NC6H3N3O7c14611810(3)912(1311)7521064(8(13)14)13(7(11)12)25(6)9(15)16h4581113H12679H23H31210Ht1112+m1s1
MFCD08690642
STK078510
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