Vitas-M small molecule compound

2-methyl-2-{4-[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]benzyl}-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indol-2-ium

Catalog ID
STL058496
SMILES [O-][N+](=O)c1ccc(cc1)c1nnc(o1)c1ccc(cc1)C[N+]1(C)CCc2c(C1)c1ccccc1[nH]2

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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 C27H24N5O3 MW 466.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H24N5O3/c1-32(15-14-25-23(17-32)22-4-2-3-5-24(22)28-25)16-18-6-8-19(9-7-18)26-29-30-27(35-26)20-10-12-21(13-11-20)31(33)34/h2-13,28H,14-17H2,1H3/q+1
InChIKey
KBRGZSAZDRCZAM-UHFFFAOYSA-N
Synonyms

(O)(N+)(=O)c1ccc(cc1)c1nnc(o1)c1ccc(cc1)C(N+)1(C)CCc2c(C1)c1ccccc1(nH)2
(O)(N+)(=O)c1ccc(cc1)c1nnc(o1)c1ccc(cc1)C(N+)1(C)CCc2c(C1)c1ccccc1(nH)2(Br)
2(4((2methyl1345tetrahydropyrido(43b)indol2ium2yl)methyl)phenyl)5(4nitrophenyl)134oxadiazole
2methyl2(4(5(4nitrophenyl)134oxadiazol2yl)benzyl)2345tetrahydro1Hpyrido(43b)indol2ium
2methyl2(4(5(4nitrophenyl)134oxadiazol2yl)benzyl)2345tetrahydro1Hpyrido(43b)indol2iumbromide
C(N+)1(CCC2=C(C1)C3=CC=CC=C3N2)CC4=CC=C(C=C4)C5=NN=C(O5)C6=CC=C(C=C6)(N+)(=O)(O)
InChI=1SC27H24N5O3c132(15142523(1732)22423524(22)2825)16186819(9718)26293027(3526)20101221(131120)31(33)34h21328H1417H21H3q+1
ZINC000245246385
ZINC000245246386
ZINC02417539
ZINC2417539

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Available files

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