Vitas-M small molecule compound
4-{4-benzyl-5-[(2,4-dinitrophenyl)sulfanyl]-4H-1,2,4-triazol-3-yl}pyridine
Catalog ID
STK729250
SMILES [O-][N+](=O)c1cc(ccc1Sc1nnc(n1Cc1ccccc1)c1ccncc1)[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 C20H14N6O4S MW 434.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H14N6O4S/c27-25(28)16-6-7-18(17(12-16)26(29)30)31-20-23-22-19(15-8-10-21-11-9-15)24(20)13-14-4-2-1-3-5-14/h1-12H,13H2InChIKey
NFLGBOCEJWCNMY-UHFFFAOYSA-NSynonyms
(O)(N+)(=O)c1cc(ccc1Sc1nnc(n1Cc1ccccc1)c1ccncc1)(N+)(=O)(O)
4(4benzyl5((24dinitrophenyl)sulfanyl)4H124triazol3yl)pyridine
4(4benzyl5((24dinitrophenyl)thio)4H124triazol3yl)pyridine
4(4BENZYL5(24DINITROPHENYL)SULFANYL124TRIAZOL3YL)PYRIDINE
C1=CC=C(C=C1)CN2C(=NN=C2SC3=C(C=C(C=C3)(N+)(=O)(O))(N+)(=O)(O))C4=CC=NC=C4
InChI=1SC20H14N6O4Sc2725(28)166718(17(1216)26(29)30)3120232219(158102111915)24(20)13144213514h112H13H2
MFCD02985411
ZINC000002333167
ZINC02333167
ZINC2333167
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