Vitas-M small molecule compound
ethyl (2Z)-5-[4-(acetyloxy)phenyl]-2-(4-tert-butylbenzylidene)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK045483
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)OC(=O)C)c(=O)/c(=C/c1ccc(cc1)C(C)(C)C)/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 C29H30N2O5S MW 518.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H30N2O5S/c1-7-35-27(34)24-17(2)30-28-31(25(24)20-10-14-22(15-11-20)36-18(3)32)26(33)23(37-28)16-19-8-12-21(13-9-19)29(4,5)6/h8-16,25H,7H2,1-6H3/b23-16-InChIKey
NGQHRRXSZFVCDC-KQWNVCNZSA-NSynonyms
324568-21-0(Z)ethyl5(4acetoxyphenyl)2(4(tertbutyl)benzylidene)7methyl3oxo35dihydro2Hthiazolo(32a)pyrimidine6carboxylate
324568210
4(2((4(TERTBUTYL)PHENYL)METHYLENE)6(ETHOXYCARBONYL)7METHYL3OXO45DIHYDRO13THIAZOLIDINO(32A)PYRIMIDIN5YL)PHENYLACETATE
CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)OC(=O)C)c(=O)c(=Cc1ccc(cc1)C(C)(C)C)s2
CCOC(=O)C1=C(N=C2N(C1C3=CC=C(C=C3)OC(=O)C)C(=O)C(=CC4=CC=C(C=C4)C(C)(C)C)S2)C
ETHYL(2Z)5(4(ACETYLOXY)PHENYL)2(4TERTBUTYLBENZYLIDENE)7METHYL3OXO23DIHYDRO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
ETHYL(2Z)5(4ACETYLOXYPHENYL)2((4TERTBUTYLPHENYL)METHYLIDENE)7METHYL3OXO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
InChI=1SC29H30N2O5Sc173527(34)2417(2)302831(25(24)20101422(151120)3618(3)32)26(33)23(3728)161981221(13919)29(45)6h81625H7H216H3b2316
MFCD01794268
STK045483
ZINC000002281413
ZINC000002281415
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