Vitas-M small molecule compound
1-[2-(3,4-diethoxyphenyl)ethyl]-5-(difluoromethyl)-7-methyl-2-sulfanylpyrido[2,3-d]pyrimidin-4(1H)-one
Catalog ID
STL179789
SMILES CCOc1cc(ccc1OCC)CCn1c(S)nc(=O)c2c1nc(C)cc2C(F)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 C21H23F2N3O3S MW 435.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23F2N3O3S/c1-4-28-15-7-6-13(11-16(15)29-5-2)8-9-26-19-17(20(27)25-21(26)30)14(18(22)23)10-12(3)24-19/h6-7,10-11,18H,4-5,8-9H2,1-3H3,(H,25,27,30)InChIKey
PPBRKCAOJXBWTB-UHFFFAOYSA-NSynonyms
1011396-26-11(2(34diethoxyphenyl)ethyl)5(difluoromethyl)7methyl2sulfanylidenepyrido(23d)pyrimidin4one
1(2(34diethoxyphenyl)ethyl)5(difluoromethyl)7methyl2sulfanylpyrido(23d)pyrimidin4(1H)one
1011396261
CCOC1=C(C=C(C=C1)CCN2C3=C(C(=CC(=N3)C)C(F)F)C(=O)NC2=S)OCC
InChI=1SC21H23F2N3O3Sc1428157613(1116(15)2952)89261917(20(27)2521(26)30)14(18(22)23)1012(3)2419h67101118H4589H213H3(H252730)
MFCD09473339
ZINC000036617314
ZINC36617314
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