Vitas-M small molecule compound
methyl {1-[2-(benzylamino)-2-oxoethyl]-2,4-dioxo-1,5,6,7-tetrahydro-2H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-3(4H)-yl}acetate
Catalog ID
STK612880
SMILES COC(=O)Cn1c(=O)c2c3CCCc3sc2n(c1=O)CC(=O)NCc1ccccc1
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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 C21H21N3O5S MW 427.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N3O5S/c1-29-17(26)12-23-19(27)18-14-8-5-9-15(14)30-20(18)24(21(23)28)11-16(25)22-10-13-6-3-2-4-7-13/h2-4,6-7H,5,8-12H2,1H3,(H,22,25)InChIKey
RVTOPTFCDVQZQT-UHFFFAOYSA-NSynonyms
903858-41-3903858413
COC(=O)CN1C(=O)C2=C(N(C1=O)CC(=O)NCC3=CC=CC=C3)SC4=C2CCC4
InChI=1SC21H21N3O5Sc12917(26)122319(27)181485915(14)3020(18)24(21(23)28)1116(25)2210136324713h2467H5812H21H3(H2225)
methyl(1(2(benzylamino)2oxoethyl)24dioxo1567tetrahydro2Hcyclopenta(45)thieno(23d)pyrimidin3(4H)yl)acetate
methyl2(1(2(benzylamino)2oxoethyl)24dioxo67dihydro1Hcyclopenta(45)thieno(23d)pyrimidin3(2H4H5H)yl)acetate
methyl2(4(2(benzylamino)2oxoethyl)13dioxo78dihydro6Hcyclopenta(23)thieno(24b)pyrimidin2yl)acetate
MFCD08291206
ZINC000009435267
ZINC09435267
ZINC9435267
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