Vitas-M small molecule compound
methyl (1-benzyl-6,6-dimethyl-2,4-dioxo-1,5,6,8-tetrahydro-2H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-3(4H)-yl)acetate
Catalog ID
STK611511
SMILES COC(=O)Cn1c(=O)n(Cc2ccccc2)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 C21H22N2O5S MW 414.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N2O5S/c1-21(2)9-14-15(12-28-21)29-19-17(14)18(25)22(11-16(24)27-3)20(26)23(19)10-13-7-5-4-6-8-13/h4-8H,9-12H2,1-3H3InChIKey
IFLBJIBSKRLAPM-UHFFFAOYSA-NSynonyms
903856-07-5903856075
CC1(CC2=C(CO1)SC3=C2C(=O)N(C(=O)N3CC4=CC=CC=C4)CC(=O)OC)C
InChI=1SC21H22N2O5Sc121(2)91415(122821)291917(14)18(25)22(1116(24)273)20(26)23(19)10137546813h48H912H213H3
methyl(1benzyl66dimethyl24dioxo1568tetrahydro2Hpyrano(4345)thieno(23d)pyrimidin3(4H)yl)acetate
methyl2(1benzyl66dimethyl24dioxo56dihydro1Hpyrano(4345)thieno(23d)pyrimidin3(2H4H8H)yl)acetate
methyl2(1benzyl66dimethyl24dioxo58dihydropyrano(23)thieno(24b)pyrimidin3yl)acetate
MFCD08291101
ZINC000006759774
ZINC06759774
ZINC6759774
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