Vitas-M small molecule compound
methyl {6,6-dimethyl-2,4-dioxo-1-[2-(piperidin-1-yl)ethyl]-1,5,6,8-tetrahydro-2H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-3(4H)-yl}acetate
Catalog ID
STK612266
SMILES COC(=O)Cn1c(=O)n(CCN2CCCCC2)c2c(c1=O)c1CC(C)(C)OCc1s2
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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 C21H29N3O5S MW 435.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H29N3O5S/c1-21(2)11-14-15(13-29-21)30-19-17(14)18(26)24(12-16(25)28-3)20(27)23(19)10-9-22-7-5-4-6-8-22/h4-13H2,1-3H3InChIKey
BKJQNHKXCZUHLE-UHFFFAOYSA-NSynonyms
903189-90-2903189902
CC1(CC2=C(CO1)SC3=C2C(=O)N(C(=O)N3CCN4CCCCC4)CC(=O)OC)C
InChI=1SC21H29N3O5Sc121(2)111415(132921)301917(14)18(26)24(1216(25)283)20(27)23(19)109227546822h413H213H3
methyl(66dimethyl24dioxo1(2(piperidin1yl)ethyl)1568tetrahydro2Hpyrano(4345)thieno(23d)pyrimidin3(4H)yl)acetate
methyl2(66dimethyl24dioxo1(2(piperidin1yl)ethyl)56dihydro1Hpyrano(4345)thieno(23d)pyrimidin3(2H4H8H)yl)acetate
methyl2(66dimethyl24dioxo1(2piperidin1ylethyl)58dihydropyrano(23)thieno(24b)pyrimidin3yl)acetate
MFCD08290388
ZINC000009410520
ZINC9410520
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