Vitas-M small molecule compound
7-(1,3-benzodioxol-5-yl)-5-(difluoromethyl)-1-(2-ethoxyphenyl)-2-sulfanylpyrido[2,3-d]pyrimidin-4(1H)-one
Catalog ID
STL179133
SMILES CCOc1ccccc1n1c(S)nc(=O)c2c1nc(cc2C(F)F)c1ccc2c(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 C23H17F2N3O4S MW 469.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H17F2N3O4S/c1-2-30-16-6-4-3-5-15(16)28-21-19(22(29)27-23(28)33)13(20(24)25)10-14(26-21)12-7-8-17-18(9-12)32-11-31-17/h3-10,20H,2,11H2,1H3,(H,27,29,33)InChIKey
QZSPZHJFCWFMRV-UHFFFAOYSA-NSynonyms
1011383-05-31011383053
7(13benzodioxol5yl)5(difluoromethyl)1(2ethoxyphenyl)2sulfanylidenepyrido(23d)pyrimidin4one
7(13benzodioxol5yl)5(difluoromethyl)1(2ethoxyphenyl)2sulfanylpyrido(23d)pyrimidin4(1H)one
CCOC1=CC=CC=C1N2C3=C(C(=CC(=N3)C4=CC5=C(C=C4)OCO5)C(F)F)C(=O)NC2=S
InChI=1SC23H17F2N3O4Sc123016643515(16)282119(22(29)2723(28)33)13(20(24)25)1014(2621)12781718(912)32113117h31020H211H21H3(H272933)
MFCD09472662
ZINC000020602929
ZINC20602929
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