Vitas-M small molecule compound
2-[({5-[(2,6-dimethylphenoxy)methyl]-4-(propan-2-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]quinazolin-4(3H)-one
Catalog ID
STL122381
SMILES CC(n1c(SCc2nc3ccccc3c(=O)[nH]2)nnc1COc1c(C)cccc1C)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 C23H25N5O2S MW 435.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H25N5O2S/c1-14(2)28-20(12-30-21-15(3)8-7-9-16(21)4)26-27-23(28)31-13-19-24-18-11-6-5-10-17(18)22(29)25-19/h5-11,14H,12-13H2,1-4H3,(H,24,25,29)InChIKey
OJMULZGNNUIOSF-UHFFFAOYSA-NSynonyms
2(((5((26dimethylphenoxy)methyl)4(propan2yl)4H124triazol3yl)sulfanyl)methyl)quinazolin4(3H)one
2((5((26dimethylphenoxy)methyl)4propan2yl124triazol3yl)sulfanylmethyl)1Hquinazolin4one
CC(n1c(SCc2nc3ccccc3c(=O)(nH)2)nnc1COc1c(C)cccc1C)C
CC1=C(C(=CC=C1)C)OCC2=NN=C(N2C(C)C)SCC3=NC(=O)C4=CC=CC=C4N3
InChI=1SC23H25N5O2Sc114(2)2820(12302115(3)87916(21)4)262723(28)311319241811651017(18)22(29)2519h51114H1213H214H3(H242529)
MFCD18435245
ZINC000067192644
ZINC67192644
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