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)methyl]-3-(2-methoxyphenyl)quinazolin-4(3H)-one
Catalog ID
STK305424
SMILES COc1ccccc1n1c(CSc2nnc(n2c2ccccc2)Cn2nc(c(c2C)Br)C)nc2c(c1=O)cccc2
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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 C30H26BrN7O2S MW 628.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H26BrN7O2S/c1-19-28(31)20(2)36(35-19)17-26-33-34-30(37(26)21-11-5-4-6-12-21)41-18-27-32-23-14-8-7-13-22(23)29(39)38(27)24-15-9-10-16-25(24)40-3/h4-16H,17-18H2,1-3H3InChIKey
FOJRVBRMLYKXCF-UHFFFAOYSA-NSynonyms
897545-03-82(((5((4bromo35dimethyl1Hpyrazol1yl)methyl)4phenyl4H124triazol3yl)sulfanyl)methyl)3(2methoxyphenyl)quinazolin4(3H)one
2((5((4BROMO35DIMETHYLPYRAZOL1YL)METHYL)4PHENYL124TRIAZOL3YL)SULFANYLMETHYL)3(2METHOXYPHENYL)QUINAZOLIN4ONE
897545038
CC1=C(C(=NN1CC2=NN=C(N2C3=CC=CC=C3)SCC4=NC5=CC=CC=C5C(=O)N4C6=CC=CC=C6OC)C)Br
InChI=1SC30H26BrN7O2Sc11928(31)20(2)36(3519)1726333430(37(26)21115461221)411827322314871322(23)29(39)38(27)24159101625(24)403h416H1718H213H3
MFCD04050687
ZINC000097949008
ZINC97949008
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