Vitas-M small molecule compound
5-{5-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]furan-2-yl}-4-[1-(4-methylbenzyl)-1H-pyrazol-4-yl]-4H-1,2,4-triazole-3-thiol
Catalog ID
STK311003
SMILES Cc1ccc(cc1)Cn1ncc(c1)n1c(S)nnc1c1ccc(o1)Cn1nc(c(c1C)Cl)C
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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 C23H22ClN7OS MW 479.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22ClN7OS/c1-14-4-6-17(7-5-14)11-29-12-18(10-25-29)31-22(26-27-23(31)33)20-9-8-19(32-20)13-30-16(3)21(24)15(2)28-30/h4-10,12H,11,13H2,1-3H3,(H,27,33)InChIKey
JXXKLBXHJBQICZ-UHFFFAOYSA-NSynonyms
1005604-39-61005604396
3(5((4chloro35dimethylpyrazol1yl)methyl)furan2yl)4(1((4methylphenyl)methyl)pyrazol4yl)1H124triazole5thione
5(5((4chloro35dimethyl1Hpyrazol1yl)methyl)furan2yl)4(1(4methylbenzyl)1Hpyrazol4yl)4H124triazole3thiol
CC1=CC=C(C=C1)CN2C=C(C=N2)N3C(=NNC3=S)C4=CC=C(O4)CN5C(=C(C(=N5)C)Cl)C
InChI=1SC23H22ClN7OSc1144617(7514)11291218(102529)3122(262723(31)33)209819(3220)133016(3)21(24)15(2)2830h41012H1113H213H3(H2733)
MFCD04058838
ZINC000002808218
ZINC02808218
ZINC2808218
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