Vitas-M small molecule compound
N-(1,3-benzodioxol-5-ylmethyl)-2-{[3-(3,5-difluorophenyl)-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide
Catalog ID
STL076777
SMILES O=C(NCc1ccc2c(c1)OCO2)CSc1nc2ccsc2c(=O)n1c1cc(F)cc(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 C22H15F2N3O4S2 MW 487.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H15F2N3O4S2/c23-13-6-14(24)8-15(7-13)27-21(29)20-16(3-4-32-20)26-22(27)33-10-19(28)25-9-12-1-2-17-18(5-12)31-11-30-17/h1-8H,9-11H2,(H,25,28)InChIKey
YAVLUGHJMSFNJP-UHFFFAOYSA-NSynonyms
C1OC2=C(O1)C=C(C=C2)CNC(=O)CSC3=NC4=C(C(=O)N3C5=CC(=CC(=C5)F)F)SC=C4
InChI=1SC22H15F2N3O4S2c2313614(24)815(713)2721(29)2016(343220)2622(27)331019(28)25912121718(512)31113017h18H911H2(H2528)
MFCD18198009
N(13benzodioxol5ylmethyl)2((3(35difluorophenyl)4oxo34dihydrothieno(32d)pyrimidin2yl)sulfanyl)acetamide
N(13benzodioxol5ylmethyl)2(3(35difluorophenyl)4oxothieno(32d)pyrimidin2yl)sulfanylacetamide
ZINC000067217690
ZINC67217690
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