Vitas-M small molecule compound
ethyl (2E)-5-[4-(acetyloxy)phenyl]-7-methyl-3-oxo-2-[(2E)-3-phenylprop-2-en-1-ylidene]-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK834138
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)OC(=O)C)c(=O)/c(=C\C=C\c1ccccc1)/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 C27H24N2O5S MW 488.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H24N2O5S/c1-4-33-26(32)23-17(2)28-27-29(24(23)20-13-15-21(16-14-20)34-18(3)30)25(31)22(35-27)12-8-11-19-9-6-5-7-10-19/h5-16,24H,4H2,1-3H3/b11-8+,22-12+InChIKey
FBIMMBFUEXEKGC-VNNYSTBCSA-NSynonyms
313966-33-5(E)ethyl5(4acetoxyphenyl)7methyl3oxo2((E)3phenylallylidene)35dihydro2Hthiazolo(32a)pyrimidine6carboxylate
313966335
CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)OC(=O)C)c(=O)c(=CC=Cc1ccccc1)s2
CCOC(=O)C1=C(N=C2N(C1C3=CC=C(C=C3)OC(=O)C)C(=O)C(=CC=CC4=CC=CC=C4)S2)C
ethyl(2E)5(4(acetyloxy)phenyl)7methyl3oxo2((2E)3phenylprop2en1ylidene)23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
ETHYL(2E)5(4ACETYLOXYPHENYL)7METHYL3OXO2((E)3PHENYLPROP2ENYLIDENE)5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
InChI=1SC27H24N2O5Sc143326(32)2317(2)282729(24(23)20131521(161420)3418(3)30)25(31)22(3527)128111996571019h51624H4H213H3b118+2212+
MFCD00845283
ZINC000008964990
ZINC000013739384
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