Vitas-M small molecule compound
3-[(3-bromobenzyl)sulfanyl]-5-(3-nitrophenyl)-4-phenyl-4H-1,2,4-triazole
Catalog ID
STK205710
SMILES Brc1cccc(c1)CSc1nnc(n1c1ccccc1)c1cccc(c1)[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/c22-17-8-4-6-15(12-17)14-29-21-24-23-20(25(21)18-9-2-1-3-10-18)16-7-5-11-19(13-16)26(27)28/h1-13H,14H2InChIKey
UGCLZKUTVDQANQ-UHFFFAOYSA-NSynonyms
3((3BROMOBENZYL)SULFANYL)5(3NITROPHENYL)4PHENYL4H124TRIAZOLE
3((3BROMOPHENYL)METHYLSULFANYL)5(3NITROPHENYL)4PHENYL124TRIAZOLE
Brc1cccc(c1)CSc1nnc(n1c1ccccc1)c1cccc(c1)(N+)(=O)(O)
C1=CC=C(C=C1)N2C(=NN=C2SCC3=CC(=CC=C3)Br)C4=CC(=CC=C4)(N+)(=O)(O)
InChI=1SC21H15BrN4O2Sc221784615(1217)142921242320(25(21)1892131018)16751119(1316)26(27)28h113H14H2
MFCD01431262
ZINC000002846744
ZINC02846744
ZINC2846744
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