Vitas-M small molecule compound
2-({5-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-methoxyphenyl)acetamide
Catalog ID
STK305399
SMILES COc1ccc(cc1)NC(=O)CSc1nnc(n1c1ccccc1)Cn1nc(c(c1C)Br)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 C23H23BrN6O2S MW 527.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H23BrN6O2S/c1-15-22(24)16(2)29(28-15)13-20-26-27-23(30(20)18-7-5-4-6-8-18)33-14-21(31)25-17-9-11-19(32-3)12-10-17/h4-12H,13-14H2,1-3H3,(H,25,31)InChIKey
RATZSWHNWUCEFV-UHFFFAOYSA-NSynonyms
897545-02-72((5((4bromo35dimethyl1Hpyrazol1yl)methyl)4phenyl4H124triazol3yl)sulfanyl)N(4methoxyphenyl)acetamide
2((5((4BROMO35DIMETHYLPYRAZOL1YL)METHYL)4PHENYL124TRIAZOL3YL)SULFANYL)N(4METHOXYPHENYL)ACETAMIDE
897545027
CC1=C(C(=NN1CC2=NN=C(N2C3=CC=CC=C3)SCC(=O)NC4=CC=C(C=C4)OC)C)Br
InChI=1SC23H23BrN6O2Sc11522(24)16(2)29(2815)1320262723(30(20)187546818)331421(31)251791119(323)121017h412H1314H213H3(H2531)
MFCD04050690
ZINC000002786134
ZINC2786134
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