Vitas-M small molecule compound
2,4,6-trinitrophenol - 4-[(2S,6R)-2,6-di(prop-2-en-1-yl)-1,2,3,6-tetrahydropyridin-4-yl]hepta-1,6-dien-4-ol (1:1)
Catalog ID
STK086148
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(CC=C)(CC=C)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 C24H30N4O8 MW 502.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H27NO.C6H3N3O7/c1-5-9-16-13-15(14-17(19-16)10-6-2)18(20,11-7-3)12-8-4;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h5-8,13,16-17,19-20H,1-4,9-12,14H2;1-2,10H/t16-,17+;/m1./s1InChIKey
SKRLJUBPAFLGDV-PPPUBMIESA-NSynonyms
(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(CC=C)(CC=C)O
246trinitrophenol4((2S6R)26di(prop2en1yl)1236tetrahydropyridin4yl)hepta16dien4ol(11)
4((2S6R)26bis(prop2enyl)1236tetrahydropyridin4yl)hepta16dien4ol246trinitrophenol
C=CCC1CC(=CC(N1)CC=C)C(CC=C)(CC=C)OC1=C(C=C(C(=C1(N+)(=O)(O))O)(N+)(=O)(O))(N+)(=O)(O)
InChI=1SC18H27NOC6H3N3O7c159161315(1417(1916)1062)18(201173)12841064(8(13)14)13(7(11)12)25(6)9(15)16h581316171920H1491214H21210Ht1617+m1s1
MFCD08690644
STK086148
ZINC000004656692
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