Vitas-M small molecule compound
ethyl (2E)-2-(3-bromobenzylidene)-7-methyl-3-oxo-5-[(E)-2-phenylethenyl]-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK081926
SMILES CCOC(=O)C1=C(C)N=c2n(C1/C=C/c1ccccc1)c(=O)/c(=C\c1cccc(c1)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)22-16(2)27-25-28(20(22)13-12-17-8-5-4-6-9-17)23(29)21(32-25)15-18-10-7-11-19(26)14-18/h4-15,20H,3H2,1-2H3/b13-12+,21-15+InChIKey
BPUSPKGLVFPHML-CNTOZLEXSA-NSynonyms
324543-09-1(E)ethyl2(3bromobenzylidene)7methyl3oxo5((E)styryl)35dihydro2Hthiazolo(32a)pyrimidine6carboxylate
324543091
CCOC(=O)C1=C(C)N=c2n(C1C=Cc1ccccc1)c(=O)c(=Cc1cccc(c1)Br)s2
CCOC(=O)C1=C(N=C2N(C1C=CC3=CC=CC=C3)C(=O)C(=CC4=CC(=CC=C4)Br)S2)C
ethyl(2E)2((3bromophenyl)methylidene)7methyl3oxo5((E)2phenylethenyl)5H(13)thiazolo(32a)pyrimidine6carboxylate
ETHYL(2E)2(3BROMOBENZYLIDENE)7METHYL3OXO5((E)2PHENYLETHENYL)23DIHYDRO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
ETHYL5((1E)2PHENYLVINYL)2((3BROMOPHENYL)METHYLENE)7METHYL3OXO45DIHYDRO13THIAZOLIDINO(32A)PYRIMIDINE6CARBOXYLATE
InChI=1SC25H21BrN2O3Sc133124(30)2216(2)272528(20(22)1312178546917)23(29)21(3225)15181071119(26)1418h41520H3H212H3b1312+2115+
MFCD01033909
STK081926
ZINC000008818878
ZINC000008818879
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