Vitas-M small molecule compound

3-[(4-fluorobenzyl)sulfanyl]-5-(4-nitrophenyl)-4-phenyl-4H-1,2,4-triazole

Catalog ID
STK131365
SMILES Fc1ccc(cc1)CSc1nnc(n1c1ccccc1)c1ccc(cc1)[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 C21H15FN4O2S MW 406.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H15FN4O2S/c22-17-10-6-15(7-11-17)14-29-21-24-23-20(25(21)18-4-2-1-3-5-18)16-8-12-19(13-9-16)26(27)28/h1-13H,14H2
InChIKey
IJHRVOZZWJRQPG-UHFFFAOYSA-N
Synonyms

3((4FLUOROBENZYL)SULFANYL)5(4NITROPHENYL)4PHENYL4H124TRIAZOLE
3((4FLUOROPHENYL)METHYLSULFANYL)5(4NITROPHENYL)4PHENYL124TRIAZOLE
C1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=C(C=C3)F)C4=CC=C(C=C4)(N+)(=O)(O)
Fc1ccc(cc1)CSc1nnc(n1c1ccccc1)c1ccc(cc1)(N+)(=O)(O)
InChI=1SC21H15FN4O2Sc221710615(71117)142921242320(25(21)184213518)1681219(13916)26(27)28h113H14H2
MFCD01465874
ZINC000001142164
ZINC01142164
ZINC1142164

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Available files

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