Vitas-M small molecule compound

ethyl (2Z)-2-(2-bromo-5-methoxybenzylidene)-5-(3-methoxyphenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

Catalog ID
STK675919
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1cccc(c1)OC)c(=O)/c(=C/c1cc(OC)ccc1Br)/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 C25H23BrN2O5S MW 543.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H23BrN2O5S/c1-5-33-24(30)21-14(2)27-25-28(22(21)15-7-6-8-17(11-15)31-3)23(29)20(34-25)13-16-12-18(32-4)9-10-19(16)26/h6-13,22H,5H2,1-4H3/b20-13-
InChIKey
PUTBNUIHQILZIG-MOSHPQCFSA-N
Synonyms

CCOC(=O)C1=C(C)N=c2n(C1c1cccc(c1)OC)c(=O)c(=Cc1cc(OC)ccc1Br)s2
CCOC(=O)C1=C(N=C2N(C1C3=CC(=CC=C3)OC)C(=O)C(=CC4=C(C=CC(=C4)OC)Br)S2)C
ETHYL(2Z)2((2BROMO5METHOXYPHENYL)METHYLIDENE)5(3METHOXYPHENYL)7METHYL3OXO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
ethyl(2Z)2(2bromo5methoxybenzylidene)5(3methoxyphenyl)7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
ETHYL2(2BROMO5METHOXYBENZYLIDENE)5(3METHOXYPHENYL)7METHYL3OXO23DIHYDRO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
InChI=1SC25H23BrN2O5Sc153324(30)2114(2)272528(22(21)1576817(1115)313)23(29)20(3425)13161218(324)91019(16)26h61322H5H214H3b2013
MFCD01821022
ZINC000002186381
ZINC000002186383

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.