Vitas-M small molecule compound
methyl [1-{2-[(4-chlorophenyl)amino]-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
STK612762
SMILES COC(=O)Cn1c(=O)c2c3CCCc3sc2n(c1=O)CC(=O)Nc1ccc(cc1)Cl
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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 C20H18ClN3O5S MW 447.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18ClN3O5S/c1-29-16(26)10-23-18(27)17-13-3-2-4-14(13)30-19(17)24(20(23)28)9-15(25)22-12-7-5-11(21)6-8-12/h5-8H,2-4,9-10H2,1H3,(H,22,25)InChIKey
FFSIXWNJJUOZCX-UHFFFAOYSA-NSynonyms
905015-37-4905015374
COC(=O)CN1C(=O)C2=C(N(C1=O)CC(=O)NC3=CC=C(C=C3)Cl)SC4=C2CCC4
InChI=1SC20H18ClN3O5Sc12916(26)102318(27)171332414(13)3019(17)24(20(23)28)915(25)22127511(21)6812h58H24910H21H3(H2225)
methyl(1(2((4chlorophenyl)amino)2oxoethyl)24dioxo1567tetrahydro2Hcyclopenta(45)thieno(23d)pyrimidin3(4H)yl)acetate
methyl2(1(2((4chlorophenyl)amino)2oxoethyl)24dioxo67dihydro1Hcyclopenta(45)thieno(23d)pyrimidin3(2H4H5H)yl)acetate
methyl2(4(2(4chloroanilino)2oxoethyl)13dioxo78dihydro6Hcyclopenta(23)thieno(24b)pyrimidin2yl)acetate
MFCD08293230
ZINC000013623439
ZINC13623439
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