Vitas-M small molecule compound
ethyl (2E)-2-{[5-(4-bromophenyl)furan-2-yl]methylidene}-7-methyl-3-oxo-5-[(E)-2-phenylethenyl]-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK794473
SMILES CCOC(=O)C1=C(C)N=c2n(C1/C=C/c1ccccc1)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 C29H23BrN2O4S MW 575.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H23BrN2O4S/c1-3-35-28(34)26-18(2)31-29-32(23(26)15-9-19-7-5-4-6-8-19)27(33)25(37-29)17-22-14-16-24(36-22)20-10-12-21(30)13-11-20/h4-17,23H,3H2,1-2H3/b15-9+,25-17+InChIKey
HICMQDMFFZOMCI-MRAVGAFBSA-NSynonyms
(E)ethyl2((5(4bromophenyl)furan2yl)methylene)7methyl3oxo5((E)styryl)35dihydro2Hthiazolo(32a)pyrimidine6carboxylate
CCOC(=O)C1=C(C)N=c2n(C1C=Cc1ccccc1)c(=O)c(=Cc1ccc(o1)c1ccc(cc1)Br)s2
CCOC(=O)C1=C(N=C2N(C1C=CC3=CC=CC=C3)C(=O)C(=CC4=CC=C(O4)C5=CC=C(C=C5)Br)S2)C
ethyl(2E)2((5(4bromophenyl)furan2yl)methylidene)7methyl3oxo5((E)2phenylethenyl)23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
ethyl(2E)2((5(4bromophenyl)furan2yl)methylidene)7methyl3oxo5((E)2phenylethenyl)5H(13)thiazolo(32a)pyrimidine6carboxylate
InChI=1SC29H23BrN2O4Sc133528(34)2618(2)312932(23(26)159197546819)27(33)25(3729)1722141624(3622)20101221(30)131120h41723H3H212H3b159+2517+
MFCD03088884
ZINC000100842411
ZINC000100842412
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