Vitas-M small molecule compound

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

Catalog ID
STK729251
SMILES [O-][N+](=O)c1cc(ccc1Sc1nnc(n1Cc1ccccc1)c1cccnc1)[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)16-8-9-18(17(11-16)26(29)30)31-20-23-22-19(15-7-4-10-21-12-15)24(20)13-14-5-2-1-3-6-14/h1-12H,13H2
InChIKey
RMWZISAVYOPMIZ-UHFFFAOYSA-N
Synonyms

(O)(N+)(=O)c1cc(ccc1Sc1nnc(n1Cc1ccccc1)c1cccnc1)(N+)(=O)(O)
3(4benzyl5((24dinitrophenyl)sulfanyl)4H124triazol3yl)pyridine
3(4benzyl5((24dinitrophenyl)thio)4H124triazol3yl)pyridine
3(4BENZYL5(24DINITROPHENYL)SULFANYL124TRIAZOL3YL)PYRIDINE
C1=CC=C(C=C1)CN2C(=NN=C2SC3=C(C=C(C=C3)(N+)(=O)(O))(N+)(=O)(O))C4=CN=CC=C4
InChI=1SC20H14N6O4Sc2725(28)168918(17(1116)26(29)30)3120232219(157410211215)24(20)13145213614h112H13H2
MFCD02985574
ZINC000001827677
ZINC01827677
ZINC1827677

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Available files

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