Vitas-M small molecule compound
2-[(3-ethyl-4-oxo-3,4-dihydro[1]benzofuro[3,2-d]pyrimidin-2-yl)sulfanyl]-N-(5-fluoro-2-methylphenyl)acetamide
Catalog ID
STL085212
SMILES CCn1c(SCC(=O)Nc2cc(F)ccc2C)nc2c(c1=O)oc1c2cccc1
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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 C21H18FN3O3S MW 411.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18FN3O3S/c1-3-25-20(27)19-18(14-6-4-5-7-16(14)28-19)24-21(25)29-11-17(26)23-15-10-13(22)9-8-12(15)2/h4-10H,3,11H2,1-2H3,(H,23,26)InChIKey
KLVBUMUHSOPVHS-UHFFFAOYSA-NSynonyms
900004-57-12((3ethyl4oxo(1)benzofuro(32d)pyrimidin2yl)sulfanyl)N(5fluoro2methylphenyl)acetamide
2((3ethyl4oxo34dihydro(1)benzofuro(32d)pyrimidin2yl)sulfanyl)N(5fluoro2methylphenyl)acetamide
2((3ETHYL4OXO34DIHYDROBENZOFURO(32D)PYRIMIDIN2YL)THIO)N(5FLUORO2METHYLPHENYL)ACETAMIDE
900004571
CCN1C(=O)C2=C(C3=CC=CC=C3O2)N=C1SCC(=O)NC4=C(C=CC(=C4)F)C
InChI=1SC21H18FN3O3Sc132520(27)1918(14645716(14)2819)2421(25)291117(26)23151013(22)9812(15)2h410H311H212H3(H2326)
MFCD08138425
ZINC000009752247
ZINC09752247
ZINC9752247
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