Vitas-M small molecule compound
5-(4-bromo-1H-pyrazol-3-yl)-4-[1-(4-methylbenzyl)-1H-pyrazol-4-yl]-4H-1,2,4-triazole-3-thiol
Catalog ID
STL400002
SMILES Cc1ccc(cc1)Cn1ncc(c1)n1c(S)nnc1c1n[nH]cc1Br
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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 C16H14BrN7S MW 416.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H14BrN7S/c1-10-2-4-11(5-3-10)8-23-9-12(6-19-23)24-15(21-22-16(24)25)14-13(17)7-18-20-14/h2-7,9H,8H2,1H3,(H,18,20)(H,22,25)InChIKey
GOZYNJRSGYXNHB-UHFFFAOYSA-NSynonyms
1005579-48-51005579485
3(4bromo1Hpyrazol5yl)4(1((4methylphenyl)methyl)pyrazol4yl)1H124triazole5thione
5(4bromo1Hpyrazol3yl)4(1(4methylbenzyl)1Hpyrazol4yl)4H124triazole3thiol
CC1=CC=C(C=C1)CN2C=C(C=N2)N3C(=NNC3=S)C4=C(C=NN4)Br
Cc1ccc(cc1)Cn1ncc(c1)n1c(S)nnc1c1n(nH)cc1Br
InChI=1SC16H14BrN7Sc1102411(5310)823912(61923)2415(212216(24)25)1413(17)7182014h279H8H21H3(H1820)(H2225)
MFCD04139998
ZINC000017090507
ZINC02730779
ZINC17090507
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