Vitas-M small molecule compound

5-benzyl-3-[(4-nitrobenzyl)sulfanyl]-5H-[1,2,4]triazino[5,6-b]indole

Catalog ID
STK122082
SMILES [O-][N+](=O)c1ccc(cc1)CSc1nnc2c(n1)n(Cc1ccccc1)c1c2cccc1

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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 C23H17N5O2S MW 427.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H17N5O2S/c29-28(30)18-12-10-17(11-13-18)15-31-23-24-22-21(25-26-23)19-8-4-5-9-20(19)27(22)14-16-6-2-1-3-7-16/h1-13H,14-15H2
InChIKey
ZJVWITOGPVCMSC-UHFFFAOYSA-N
Synonyms
332872-19-2
(O)(N+)(=O)c1ccc(cc1)CSc1nnc2c(n1)n(Cc1ccccc1)c1c2cccc1
332872192
5BENZYL3((4NITROBENZYL)SULFANYL)5H(124)TRIAZINO(56B)INDOLE
5BENZYL3((4NITROPHENYL)METHYLSULFANYL)(124)TRIAZINO(56B)INDOLE
C1=CC=C(C=C1)CN2C3=CC=CC=C3C4=C2N=C(N=N4)SCC5=CC=C(C=C5)(N+)(=O)(O)
InChI=1SC23H17N5O2Sc2928(30)18121017(111318)153123242221(252623)19845920(19)27(22)14166213716h113H1415H2
MFCD02050833
ZINC000001132826
ZINC01132826
ZINC1132826

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Available files

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