Vitas-M small molecule compound
ethyl (2E)-2-(3-chlorobenzylidene)-7-methyl-3-oxo-5-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK876498
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccccc1)c(=O)/c(=C\c1cccc(c1)Cl)/s2
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We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C23H19ClN2O3S MW 438.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H19ClN2O3S/c1-3-29-22(28)19-14(2)25-23-26(20(19)16-9-5-4-6-10-16)21(27)18(30-23)13-15-8-7-11-17(24)12-15/h4-13,20H,3H2,1-2H3/b18-13+InChIKey
XGAAEOPGLLGTDV-QGOAFFKASA-NSynonyms
(Z)ethyl2(3chlorobenzylidene)7methyl3oxo5phenyl35dihydro2Hthiazolo(32a)pyrimidine6carboxylate
CCOC(=O)C1=C(C)N=c2n(C1c1ccccc1)c(=O)c(=Cc1cccc(c1)Cl)s2
CCOC(=O)C1=C(N=C2N(C1C3=CC=CC=C3)C(=O)C(=CC4=CC(=CC=C4)Cl)S2)C
ETHYL(2E)2((3CHLOROPHENYL)METHYLIDENE)7METHYL3OXO5PHENYL5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
ethyl(2E)2(3chlorobenzylidene)7methyl3oxo5phenyl23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
ETHYL2((3CHLOROPHENYL)METHYLENE)7METHYL3OXO5PHENYL45DIHYDRO13THIAZOLIDINO(32A)PYRIMIDINE6CARBOXYLATE
InChI=1SC23H19ClN2O3Sc132922(28)1914(2)252326(20(19)1695461016)21(27)18(3023)1315871117(24)1215h41320H3H212H3b1813+
MFCD02210151
ZINC000008779635
ZINC000008779636
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