Vitas-M small molecule compound
3-[(4-bromobenzyl)sulfanyl]-4-methyl-5-(naphthalen-1-ylmethyl)-4H-1,2,4-triazole
Catalog ID
STK147503
SMILES Brc1ccc(cc1)CSc1nnc(n1C)Cc1cccc2c1cccc2
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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 C21H18BrN3S MW 424.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18BrN3S/c1-25-20(13-17-7-4-6-16-5-2-3-8-19(16)17)23-24-21(25)26-14-15-9-11-18(22)12-10-15/h2-12H,13-14H2,1H3InChIKey
CFAJVUFXPVMSHK-UHFFFAOYSA-NSynonyms
3((4BROMOBENZYL)SULFANYL)4METHYL5(NAPHTHALEN1YLMETHYL)4H124TRIAZOLE
3((4BROMOPHENYL)METHYLSULFANYL)4METHYL5(NAPHTHALEN1YLMETHYL)124TRIAZOLE
CN1C(=NN=C1SCC2=CC=C(C=C2)Br)CC3=CC=CC4=CC=CC=C43
InChI=1SC21H18BrN3Sc12520(131774616523819(16)17)232421(25)26141591118(22)121015h212H1314H21H3
MFCD06018400
ZINC000009601541
ZINC09601541
ZINC9601541
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