Vitas-M small molecule compound
2-[3-(1,3-benzodioxol-5-ylmethyl)-2,4-dioxo-3,4-dihydrothieno[3,2-d]pyrimidin-1(2H)-yl]-N-(3-fluorophenyl)acetamide
Catalog ID
STL031235
SMILES O=C(Cn1c(=O)n(Cc2ccc3c(c2)OCO3)c(=O)c2c1ccs2)Nc1cccc(c1)F
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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 C22H16FN3O5S MW 453.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H16FN3O5S/c23-14-2-1-3-15(9-14)24-19(27)11-25-16-6-7-32-20(16)21(28)26(22(25)29)10-13-4-5-17-18(8-13)31-12-30-17/h1-9H,10-12H2,(H,24,27)InChIKey
QKQCAEWEDQIOOW-UHFFFAOYSA-NSynonyms
2(3(13benzodioxol5ylmethyl)24dioxo34dihydrothieno(32d)pyrimidin1(2H)yl)N(3fluorophenyl)acetamide
2(3(13benzodioxol5ylmethyl)24dioxothieno(32d)pyrimidin1yl)N(3fluorophenyl)acetamide
C1OC2=C(O1)C=C(C=C2)CN3C(=O)C4=C(C=CS4)N(C3=O)CC(=O)NC5=CC(=CC=C5)F
InChI=1SC22H16FN3O5Sc231421315(914)2419(27)112516673220(16)21(28)26(22(25)29)1013451718(813)31123017h19H1012H2(H2427)
MFCD18191299
ZINC000057428214
ZINC57428214
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