Vitas-M small molecule compound
ethyl (2E)-5-[4-(acetyloxy)phenyl]-2-{[5-(4-bromophenyl)furan-2-yl]methylidene}-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK033004
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)OC(=O)C)c(=O)/c(=C\c1ccc(o1)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 C29H23BrN2O6S MW 607.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H23BrN2O6S/c1-4-36-28(35)25-16(2)31-29-32(26(25)19-7-11-21(12-8-19)37-17(3)33)27(34)24(39-29)15-22-13-14-23(38-22)18-5-9-20(30)10-6-18/h5-15,26H,4H2,1-3H3/b24-15+InChIKey
SNQMSCAVYZRKAF-BUVRLJJBSA-NSynonyms
(Z)ethyl5(4acetoxyphenyl)2((5(4bromophenyl)furan2yl)methylene)7methyl3oxo35dihydro2Hthiazolo(32a)pyrimidine6carboxylate
CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)OC(=O)C)c(=O)c(=Cc1ccc(o1)c1ccc(cc1)Br)s2
CCOC(=O)C1=C(N=C2N(C1C3=CC=C(C=C3)OC(=O)C)C(=O)C(=CC4=CC=C(O4)C5=CC=C(C=C5)Br)S2)C
ETHYL(2E)5(4(ACETYLOXY)PHENYL)2((5(4BROMOPHENYL)FURAN2YL)METHYLIDENE)7METHYL3OXO23DIHYDRO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
ETHYL(2E)5(4ACETYLOXYPHENYL)2((5(4BROMOPHENYL)FURAN2YL)METHYLIDENE)7METHYL3OXO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
ETHYL5(4(ACETYLOXY)PHENYL)2((5(4BROMOPHENYL)2FURYL)METHYLENE)7METHYL3OXO23DIHYDRO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
InChI=1SC29H23BrN2O6Sc143628(35)2516(2)312932(26(25)1971121(12819)3717(3)33)27(34)24(3929)1522131423(3822)185920(30)10618h51526H4H213H3b2415+
MFCD01163021
STK033004
ZINC000008425882
ZINC000008425884
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