Vitas-M small molecule compound
4-{5-[(3-bromobenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}aniline
Catalog ID
STK124191
SMILES Nc1ccc(cc1)c1nnc(n1C)SCc1cccc(c1)Br
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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 C16H15BrN4S MW 375.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H15BrN4S/c1-21-15(12-5-7-14(18)8-6-12)19-20-16(21)22-10-11-3-2-4-13(17)9-11/h2-9H,10,18H2,1H3InChIKey
KFCRSLRYMJRTJX-UHFFFAOYSA-NSynonyms
4(5((3BROMOBENZYL)SULFANYL)4METHYL4H124TRIAZOL3YL)ANILINE
4(5((3BROMOPHENYL)METHYLSULFANYL)4METHYL124TRIAZOL3YL)ANILINE
CN1C(=NN=C1SCC2=CC(=CC=C2)Br)C3=CC=C(C=C3)N
InChI=1SC16H15BrN4Sc12115(125714(18)8612)192016(21)22101132413(17)911h29H1018H21H3
MFCD03877729
ZINC000001137379
ZINC01137379
ZINC1137379
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