Vitas-M small molecule compound
N-(1,3-benzodioxol-5-yl)-2-{[3-(3,5-difluorophenyl)-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide
Catalog ID
STL076773
SMILES O=C(Nc1ccc2c(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 C21H13F2N3O4S2 MW 473.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H13F2N3O4S2/c22-11-5-12(23)7-14(6-11)26-20(28)19-15(3-4-31-19)25-21(26)32-9-18(27)24-13-1-2-16-17(8-13)30-10-29-16/h1-8H,9-10H2,(H,24,27)InChIKey
KCXCWZJKDJKNQC-UHFFFAOYSA-NSynonyms
C1OC2=C(O1)C=C(C=C2)NC(=O)CSC3=NC4=C(C(=O)N3C5=CC(=CC(=C5)F)F)SC=C4
InChI=1SC21H13F2N3O4S2c2211512(23)714(611)2620(28)1915(343119)2521(26)32918(27)2413121617(813)30102916h18H910H2(H2427)
MFCD18198005
N(13benzodioxol5yl)2((3(35difluorophenyl)4oxo34dihydrothieno(32d)pyrimidin2yl)sulfanyl)acetamide
N(13benzodioxol5yl)2(3(35difluorophenyl)4oxothieno(32d)pyrimidin2yl)sulfanylacetamide
ZINC000067217682
ZINC67217682
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