Vitas-M small molecule compound
methyl [2,4-dioxo-1-{2-oxo-2-[(2-phenylethyl)amino]ethyl}-1,5,6,7-tetrahydro-2H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-3(4H)-yl]acetate
Catalog ID
STK616724
SMILES COC(=O)Cn1c(=O)c2c3CCCc3sc2n(c1=O)CC(=O)NCCc1ccccc1
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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 C22H23N3O5S MW 441.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23N3O5S/c1-30-18(27)13-24-20(28)19-15-8-5-9-16(15)31-21(19)25(22(24)29)12-17(26)23-11-10-14-6-3-2-4-7-14/h2-4,6-7H,5,8-13H2,1H3,(H,23,26)InChIKey
GHXVHIBOQCXBDO-UHFFFAOYSA-NSynonyms
903855-35-6903855356
COC(=O)CN1C(=O)C2=C(N(C1=O)CC(=O)NCCC3=CC=CC=C3)SC4=C2CCC4
InChI=1SC22H23N3O5Sc13018(27)132420(28)191585916(15)3121(19)25(22(24)29)1217(26)231110146324714h2467H5813H21H3(H2326)
methyl(24dioxo1(2oxo2((2phenylethyl)amino)ethyl)1567tetrahydro2Hcyclopenta(45)thieno(23d)pyrimidin3(4H)yl)acetate
methyl2(13dioxo4(2oxo2(2phenylethylamino)ethyl)78dihydro6Hcyclopenta(23)thieno(24b)pyrimidin2yl)acetate
methyl2(24dioxo1(2oxo2(phenethylamino)ethyl)67dihydro1Hcyclopenta(45)thieno(23d)pyrimidin3(2H4H5H)yl)acetate
MFCD08289925
ZINC000009410387
ZINC09410387
ZINC9410387
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