Vitas-M small molecule compound
ethyl (2Z)-5-[4-(acetyloxy)phenyl]-2-(3-chlorobenzylidene)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK793804
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)OC(=O)C)c(=O)/c(=C/c1cccc(c1)Cl)/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/c1-4-32-24(31)21-14(2)27-25-28(22(21)17-8-10-19(11-9-17)33-15(3)29)23(30)20(34-25)13-16-6-5-7-18(26)12-16/h5-13,22H,4H2,1-3H3/b20-13-InChIKey
HNVQKAKUFKBPFP-MOSHPQCFSA-NSynonyms
(Z)ethyl5(4acetoxyphenyl)2(3chlorobenzylidene)7methyl3oxo35dihydro2Hthiazolo(32a)pyrimidine6carboxylate
4(2((3CHLOROPHENYL)METHYLENE)6(ETHOXYCARBONYL)7METHYL3OXO45DIHYDRO13THIAZOLIDINO(32A)PYRIMIDIN5YL)PHENYLACETATE
CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)OC(=O)C)c(=O)c(=Cc1cccc(c1)Cl)s2
CCOC(=O)C1=C(N=C2N(C1C3=CC=C(C=C3)OC(=O)C)C(=O)C(=CC4=CC(=CC=C4)Cl)S2)C
ethyl(2Z)5(4(acetyloxy)phenyl)2(3chlorobenzylidene)7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
ETHYL(2Z)5(4ACETYLOXYPHENYL)2((3CHLOROPHENYL)METHYLIDENE)7METHYL3OXO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
ETHYL5(4(ACETYLOXY)PHENYL)2(3CHLOROBENZYLIDENE)7METHYL3OXO23DIHYDRO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
InChI=1SC25H21ClN2O5Sc143224(31)2114(2)272528(22(21)1781019(11917)3315(3)29)23(30)20(3425)131665718(26)1216h51322H4H213H3b2013
MFCD02987233
ZINC000001784493
ZINC000001784498
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