Vitas-M small molecule compound

1-(diphenylmethyl)-3-nitro-5-(phenylsulfanyl)-1H-1,2,4-triazole

Catalog ID
STK558243
SMILES [O-][N+](=O)c1nc(n(n1)C(c1ccccc1)c1ccccc1)Sc1ccccc1

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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 C21H16N4O2S MW 388.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16N4O2S/c26-25(27)20-22-21(28-18-14-8-3-9-15-18)24(23-20)19(16-10-4-1-5-11-16)17-12-6-2-7-13-17/h1-15,19H
InChIKey
HUCJDDWCEDSMFX-UHFFFAOYSA-N
Synonyms
586983-25-7
(O)(N+)(=O)c1nc(n(n1)C(c1ccccc1)c1ccccc1)Sc1ccccc1
1(diphenylmethyl)3nitro5(phenylsulfanyl)1H124triazole
1benzhydryl3nitro5(phenylthio)1H124triazole
1BENZHYDRYL3NITRO5PHENYLSULFANYL124TRIAZOLE
586983257
C1=CC=C(C=C1)C(C2=CC=CC=C2)N3C(=NC(=N3)(N+)(=O)(O))SC4=CC=CC=C4
InChI=1SC21H16N4O2Sc2625(27)202221(2818148391518)24(2320)19(16104151116)17126271317h11519H
MFCD04030944
ZINC000005111622
ZINC05111622
ZINC5111622

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Available files

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