Vitas-M small molecule compound
N-(2-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-1-ethyl-1H-benzimidazol-5-yl)-2,3-dihydro-1,4-benzodioxine-2-carboxamide
Catalog ID
STL010757
SMILES CCn1c(CSc2nc(C)cc(n2)C)nc2c1ccc(c2)NC(=O)C1COc2c(O1)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 C25H25N5O3S MW 475.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25N5O3S/c1-4-30-19-10-9-17(28-24(31)22-13-32-20-7-5-6-8-21(20)33-22)12-18(19)29-23(30)14-34-25-26-15(2)11-16(3)27-25/h5-12,22H,4,13-14H2,1-3H3,(H,28,31)InChIKey
HKUAIHSBBBZHGZ-UHFFFAOYSA-NSynonyms
929963-68-8929963688
CCN1C2=C(C=C(C=C2)NC(=O)C3COC4=CC=CC=C4O3)N=C1CSC5=NC(=CC(=N5)C)C
InChI=1SC25H25N5O3Sc14301910917(2824(31)22133220756821(20)3322)1218(19)2923(30)1434252615(2)1116(3)2725h51222H41314H213H3(H2831)
MFCD09849163
N(2(((46dimethylpyrimidin2yl)sulfanyl)methyl)1ethyl1Hbenzimidazol5yl)23dihydro14benzodioxine2carboxamide
N(2(((46dimethylpyrimidin2yl)thio)methyl)1ethyl1Hbenzo(d)imidazol5yl)23dihydrobenzo(b)(14)dioxine2carboxamide
N(2((46dimethylpyrimidin2yl)sulfanylmethyl)1ethylbenzimidazol5yl)23dihydro14benzodioxine3carboxamide
ZINC000008992834
ZINC000008992835
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