Vitas-M small molecule compound
5-(difluoromethyl)-1-(2-methoxyethyl)-2-sulfanyl-7-(tricyclo[3.3.1.1~3,7~]dec-1-yl)pyrido[2,3-d]pyrimidin-4(1H)-one
Catalog ID
STL179438
SMILES COCCn1c(S)nc(=O)c2c1nc(cc2C(F)F)C12CC3CC(C2)CC(C1)C3
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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 C21H25F2N3O2S MW 421.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25F2N3O2S/c1-28-3-2-26-18-16(19(27)25-20(26)29)14(17(22)23)7-15(24-18)21-8-11-4-12(9-21)6-13(5-11)10-21/h7,11-13,17H,2-6,8-10H2,1H3,(H,25,27,29)InChIKey
QNOSVIXIZWEAPE-UHFFFAOYSA-NSynonyms
1011392-64-51011392645
5(difluoromethyl)1(2methoxyethyl)2sulfanyl7(tricyclo(3311~37~)dec1yl)pyrido(23d)pyrimidin4(1H)one
7(1adamantyl)5(difluoromethyl)1(2methoxyethyl)2sulfanylidenepyrido(23d)pyrimidin4one
COCCN1C2=C(C(=CC(=N2)C34CC5CC(C3)CC(C5)C4)C(F)F)C(=O)NC1=S
InChI=1SC21H25F2N3O2Sc12832261816(19(27)2520(26)29)14(17(22)23)715(2418)21811412(921)613(511)1021h7111317H26810H21H3(H252729)
ZINC000020604435
ZINC20604435
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