Vitas-M small molecule compound
ethyl [3-(3-chlorophenyl)-6,6-dimethyl-2,4-dioxo-3,4,5,8-tetrahydro-2H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-1(6H)-yl]acetate
Catalog ID
STL443540
SMILES CCOC(=O)Cn1c2sc3c(c2c(=O)n(c1=O)c1cccc(c1)Cl)CC(OC3)(C)C
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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 C21H21ClN2O5S MW 448.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21ClN2O5S/c1-4-28-16(25)10-23-19-17(14-9-21(2,3)29-11-15(14)30-19)18(26)24(20(23)27)13-7-5-6-12(22)8-13/h5-8H,4,9-11H2,1-3H3InChIKey
LYLFUYLSMBIMCG-UHFFFAOYSA-NSynonyms
CCOC(=O)CN1C2=C(C3=C(S2)COC(C3)(C)C)C(=O)N(C1=O)C4=CC(=CC=C4)Cl
ethyl(3(3chlorophenyl)66dimethyl24dioxo3458tetrahydro2Hpyrano(4345)thieno(23d)pyrimidin1(6H)yl)acetate
ethyl2(3(3chlorophenyl)66dimethyl24dioxo58dihydropyrano(23)thieno(24b)pyrimidin1yl)acetate
InChI=1SC21H21ClN2O5Sc142816(25)10231917(14921(23)291115(14)3019)18(26)24(20(23)27)1375612(22)813h58H4911H213H3
MFCD07756241
ZINC000008769851
ZINC8769851
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