Vitas-M small molecule compound
3-[2-(4-methoxyphenyl)ethyl]-2-sulfanyl-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one
Catalog ID
STK438547
SMILES COc1ccc(cc1)CCn1c(S)nc2c(c1=O)c1CCCCCc1s2
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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 C20H22N2O2S2 MW 386.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22N2O2S2/c1-24-14-9-7-13(8-10-14)11-12-22-19(23)17-15-5-3-2-4-6-16(15)26-18(17)21-20(22)25/h7-10H,2-6,11-12H2,1H3,(H,21,25)InChIKey
UBBMCZJTZAGIIH-UHFFFAOYSA-NSynonyms
3(2(4methoxyphenyl)ethyl)2sulfanyl356789hexahydro4Hcyclohepta(45)thieno(23d)pyrimidin4one
3(2(4methoxyphenyl)ethyl)2sulfanylidene156789hexahydrocyclohepta(23)thieno(24b)pyrimidin4one
COC1=CC=C(C=C1)CCN2C(=O)C3=C(NC2=S)SC4=C3CCCCC4
InChI=1SC20H22N2O2S2c124149713(81014)11122219(23)17155324616(15)2618(17)2120(22)25h710H261112H21H3(H2125)
MFCD03945418
ZINC000017078985
ZINC17078985
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