Vitas-M small molecule compound

N-(1,3-benzodioxol-5-ylmethyl)-2-[3-(2-fluorophenyl)-2,4-dioxo-3,4-dihydrothieno[3,2-d]pyrimidin-1(2H)-yl]acetamide

Catalog ID
STL077249
SMILES O=C(Cn1c2ccsc2c(=O)n(c1=O)c1ccccc1F)NCc1ccc2c(c1)OCO2

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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/c23-14-3-1-2-4-15(14)26-21(28)20-16(7-8-32-20)25(22(26)29)11-19(27)24-10-13-5-6-17-18(9-13)31-12-30-17/h1-9H,10-12H2,(H,24,27)
InChIKey
VYJYRZPTCOCQQY-UHFFFAOYSA-N
Synonyms

C1OC2=C(O1)C=C(C=C2)CNC(=O)CN3C4=C(C(=O)N(C3=O)C5=CC=CC=C5F)SC=C4
InChI=1SC22H16FN3O5Sc2314312415(14)2621(28)2016(783220)25(22(26)29)1119(27)241013561718(913)31123017h19H1012H2(H2427)
MFCD18198476
N(13benzodioxol5ylmethyl)2(3(2fluorophenyl)24dioxo34dihydrothieno(32d)pyrimidin1(2H)yl)acetamide
N(13benzodioxol5ylmethyl)2(3(2fluorophenyl)24dioxothieno(32d)pyrimidin1yl)acetamide
ZINC000057490558
ZINC57490558

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Available files

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