Vitas-M small molecule compound
19-(4-nitrobenzyl)strychnidin-19-ium-10-one
Catalog ID
STL558116
SMILES O=C1CC2OCC=C3C4C2C2N1c1ccccc1C12CC[N+](C1C4)(C3)Cc1ccc(cc1)[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 C28H28N3O4 MW 470.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H28N3O4/c32-25-14-23-26-20-13-24-28(21-3-1-2-4-22(21)29(25)27(26)28)10-11-31(24,16-18(20)9-12-35-23)15-17-5-7-19(8-6-17)30(33)34/h1-9,20,23-24,26-27H,10-16H2/q+1InChIKey
DQSHVYJZUYBCIX-UHFFFAOYSA-NSynonyms
(4aR4a1R5aS6R8aS8a1S15aS)6(4nitrobenzyl)14oxo24a4a155a6788a1141515adodecahydro46methanoindolo(321ij)oxepino(234de)pyrrolo(23h)quinolin6iumbromide
19(4nitrobenzyl)strychnidin19ium10one
5149456
6((4nitrophenyl)methyl)4~(a)55~(a)7813~(a)1515~(a)15~(b)16decahydro2~(H)46methanoindolo(321ij)oxepino(234de)pyrrolo(23h)quinolin6ium14one
InChI=1SC28H28N3O4c322514232620132428(21312422(21)29(25)27(26)28)101131(241618(20)9123523)15175719(8617)30(33)34h192023242627H1016H2q+1
MFCD10465507
O=C1C(C@@H)2OCC=C3(C@H)4(C@@H)2(C@@H)2N1c1ccccc1(C@)12CC(N+)((C@H)1C4)(C3)Cc1ccc(cc1)(N+)(=O)(O)(Br)
ZINC000245239798
ZINC000245239804
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