Vitas-M small molecule compound
ethyl (2Z)-5-(4-chlorophenyl)-7-methyl-2-[(6-methyl-1,3-benzodioxol-5-yl)methylidene]-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STL381807
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)Cl)c(=O)/c(=C/c1cc3OCOc3cc1C)/s2
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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 C25H21ClN2O5S MW 496.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21ClN2O5S/c1-4-31-24(30)21-14(3)27-25-28(22(21)15-5-7-17(26)8-6-15)23(29)20(34-25)11-16-10-19-18(9-13(16)2)32-12-33-19/h5-11,22H,4,12H2,1-3H3/b20-11-InChIKey
JDIRZBQWEWONMY-JAIQZWGSSA-NSynonyms
CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)Cl)c(=O)c(=Cc1cc3OCOc3cc1C)s2
CCOC(=O)C1=C(N=C2N(C1C3=CC=C(C=C3)Cl)C(=O)C(=CC4=CC5=C(C=C4C)OCO5)S2)C
ethyl(2Z)5(4chlorophenyl)7methyl2((6methyl13benzodioxol5yl)methylidene)3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
ETHYL(2Z)5(4CHLOROPHENYL)7METHYL2((6METHYL13BENZODIOXOL5YL)METHYLIDENE)3OXO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
ETHYL5(4CHLOROPHENYL)7METHYL2((6METHYL13BENZODIOXOL5YL)METHYLENE)3OXO23DIHYDRO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
InChI=1SC25H21ClN2O5Sc143124(30)2114(3)272528(22(21)155717(26)8615)23(29)20(3425)1116101918(913(16)2)32123319h51122H412H213H3b2011
MFCD02953683
ZINC000002156893
ZINC000002156899
Check stock
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Check stock on Vitas-MAvailable files
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