Vitas-M small molecule compound
5-(difluoromethyl)-1-(3-methoxypropyl)-2-sulfanyl-7-(tricyclo[3.3.1.1~3,7~]dec-1-yl)pyrido[2,3-d]pyrimidin-4(1H)-one
Catalog ID
STL179668
SMILES COCCCn1c(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 C22H27F2N3O2S MW 435.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H27F2N3O2S/c1-29-4-2-3-27-19-17(20(28)26-21(27)30)15(18(23)24)8-16(25-19)22-9-12-5-13(10-22)7-14(6-12)11-22/h8,12-14,18H,2-7,9-11H2,1H3,(H,26,28,30)InChIKey
KVELUJRCVHRKER-UHFFFAOYSA-NSynonyms
1011393-88-61011393886
5(difluoromethyl)1(3methoxypropyl)2sulfanyl7(tricyclo(3311~37~)dec1yl)pyrido(23d)pyrimidin4(1H)one
7(1adamantyl)5(difluoromethyl)1(3methoxypropyl)2sulfanylidenepyrido(23d)pyrimidin4one
COCCCN1C2=C(C(=CC(=N2)C34CC5CC(C3)CC(C5)C4)C(F)F)C(=O)NC1=S
InChI=1SC22H27F2N3O2Sc129423271917(20(28)2621(27)30)15(18(23)24)816(2519)22912513(1022)714(612)1122h8121418H27911H21H3(H262830)
ZINC000020605598
ZINC20605598
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