Vitas-M small molecule compound

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

Catalog ID
STK119657
SMILES Brc1ccccc1CSc1nnc(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 C21H15BrN4O2S MW 467.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H15BrN4O2S/c22-19-9-5-4-6-16(19)14-29-21-24-23-20(25(21)17-7-2-1-3-8-17)15-10-12-18(13-11-15)26(27)28/h1-13H,14H2
InChIKey
WAEMENUXMLZPTO-UHFFFAOYSA-N
Synonyms

3((2BROMOBENZYL)SULFANYL)5(4NITROPHENYL)4PHENYL4H124TRIAZOLE
3((2BROMOPHENYL)METHYLSULFANYL)5(4NITROPHENYL)4PHENYL124TRIAZOLE
Brc1ccccc1CSc1nnc(n1c1ccccc1)c1ccc(cc1)(N+)(=O)(O)
C1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=CC=C3Br)C4=CC=C(C=C4)(N+)(=O)(O)
InChI=1SC21H15BrN4O2Sc2219954616(19)142921242320(25(21)177213817)15101218(131115)26(27)28h113H14H2
MFCD04371677
ZINC000009805605
ZINC09805605
ZINC9805605

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Available files

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