Vitas-M small molecule compound
3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one
Catalog ID
STK928567
SMILES COc1ccc(cc1OC)C(=O)Cn1cnc2c(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 C21H22N2O4S MW 398.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N2O4S/c1-26-16-9-8-13(10-17(16)27-2)15(24)11-23-12-22-20-19(21(23)25)14-6-4-3-5-7-18(14)28-20/h8-10,12H,3-7,11H2,1-2H3InChIKey
WQYNSGFSEMGLAW-UHFFFAOYSA-NSynonyms
1190271-97-61190271976
3(2(34dimethoxyphenyl)2oxoethyl)356789hexahydro4Hcyclohepta(45)thieno(23d)pyrimidin4one
3(2(34dimethoxyphenyl)2oxoethyl)6789tetrahydro3Hcyclohepta(45)thieno(23d)pyrimidin4(5H)one
3(2(34dimethoxyphenyl)2oxoethyl)6789tetrahydro5Hcyclohepta(23)thieno(24d)pyrimidin4one
COC1=C(C=C(C=C1)C(=O)CN2C=NC3=C(C2=O)C4=C(S3)CCCCC4)OC
InChI=1SC21H22N2O4Sc126169813(1017(16)272)15(24)112312222019(21(23)25)146435718(14)2820h81012H3711H212H3
MFCD13757717
ZINC000036358160
ZINC36358160
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