Vitas-M small molecule compound
ethyl (2E)-2-[(2E)-3-(4-bromophenyl)prop-2-en-1-ylidene]-7-methyl-3-oxo-5-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STL407029
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccccc1)c(=O)/c(=C\C=C\c1ccc(cc1)Br)/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 C25H21BrN2O3S MW 509.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21BrN2O3S/c1-3-31-24(30)21-16(2)27-25-28(22(21)18-9-5-4-6-10-18)23(29)20(32-25)11-7-8-17-12-14-19(26)15-13-17/h4-15,22H,3H2,1-2H3/b8-7+,20-11+InChIKey
LFSWJQKMRKBCPM-PLOBCEGZSA-NSynonyms
CCOC(=O)C1=C(C)N=c2n(C1c1ccccc1)c(=O)c(=CC=Cc1ccc(cc1)Br)s2
CCOC(=O)C1=C(N=C2N(C1C3=CC=CC=C3)C(=O)C(=CC=CC4=CC=C(C=C4)Br)S2)C
ethyl(2E)2((2E)3(4bromophenyl)prop2en1ylidene)7methyl3oxo5phenyl23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
ETHYL(2E)2((E)3(4BROMOPHENYL)PROP2ENYLIDENE)7METHYL3OXO5PHENYL5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
InChI=1SC25H21BrN2O3Sc133124(30)2116(2)272528(22(21)1895461018)23(29)20(3225)117817121419(26)151317h41522H3H212H3b87+2011+
MFCD04083855
ZINC000016682382
ZINC000016682383
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