Vitas-M small molecule compound

4-{4-benzyl-5-[(4-nitrobenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}pyridine

Catalog ID
STK046491
SMILES [O-][N+](=O)c1ccc(cc1)CSc1nnc(n1Cc1ccccc1)c1ccncc1

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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 C21H17N5O2S MW 403.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17N5O2S/c27-26(28)19-8-6-17(7-9-19)15-29-21-24-23-20(18-10-12-22-13-11-18)25(21)14-16-4-2-1-3-5-16/h1-13H,14-15H2
InChIKey
BHINLPYKJDLUHG-UHFFFAOYSA-N
Synonyms
6686-87-9
(O)(N+)(=O)c1ccc(cc1)CSc1nnc(n1Cc1ccccc1)c1ccncc1
4(4BENZYL5(((4NITROPHENYL)METHYL)SULFANYL)124TRIAZOL3YL)PYRIDINE
4(4BENZYL5((4NITROBENZYL)SULFANYL)4H124TRIAZOL3YL)PYRIDINE
4(4benzyl5((4nitrobenzyl)thio)4H124triazol3yl)pyridine
4(4BENZYL5((4NITROPHENYL)METHYLSULFANYL)124TRIAZOL3YL)PYRIDINE
6686879
C1=CC=C(C=C1)CN2C(=NN=C2SCC3=CC=C(C=C3)(N+)(=O)(O))C4=CC=NC=C4
InChI=1SC21H17N5O2Sc2726(28)198617(7919)152921242320(18101222131118)25(21)14164213516h113H1415H2
MFCD02924654
STK046491
ZINC000001162422
ZINC01162422
ZINC1162422

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Available files

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