Vitas-M small molecule compound
methyl (3-benzyl-2,4-dioxo-3,4,6,7,8,9-hexahydro-2H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-1(5H)-yl)acetate
Catalog ID
STK577855
SMILES COC(=O)Cn1c2sc3c(c2c(=O)n(c1=O)Cc1ccccc1)CCCCC3
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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/c1-27-17(24)13-23-20-18(15-10-6-3-7-11-16(15)28-20)19(25)22(21(23)26)12-14-8-4-2-5-9-14/h2,4-5,8-9H,3,6-7,10-13H2,1H3InChIKey
VRKOHLPUIIAMCC-UHFFFAOYSA-NSynonyms
896823-65-7896823657
COC(=O)CN1C2=C(C3=C(S2)CCCCC3)C(=O)N(C1=O)CC4=CC=CC=C4
InChI=1SC21H22N2O4Sc12717(24)13232018(15106371116(15)2820)19(25)22(21(23)26)12148425914h24589H3671013H21H3
methyl(3benzyl24dioxo346789hexahydro2Hcyclohepta(45)thieno(23d)pyrimidin1(5H)yl)acetate
methyl2(3benzyl24dioxo23456789octahydro1Hcyclohepta(45)thieno(23d)pyrimidin1yl)acetate
methyl2(3benzyl24dioxo6789tetrahydro5Hcyclohepta(23)thieno(24b)pyrimidin1yl)acetate
MFCD06597847
ZINC000002212177
ZINC02212177
ZINC2212177
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