Vitas-M small molecule compound

ethyl (2Z)-5-(3,4-dimethoxyphenyl)-7-methyl-3-oxo-2-[4-(propan-2-yl)benzylidene]-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

Catalog ID
STK868694
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccc(c(c1)OC)OC)c(=O)/c(=C/c1ccc(cc1)C(C)C)/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 C28H30N2O5S MW 506.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H30N2O5S/c1-7-35-27(32)24-17(4)29-28-30(25(24)20-12-13-21(33-5)22(15-20)34-6)26(31)23(36-28)14-18-8-10-19(11-9-18)16(2)3/h8-16,25H,7H2,1-6H3/b23-14-
InChIKey
MPVNZYCZEUIMSE-UCQKPKSFSA-N
Synonyms

(E)ethyl5(34dimethoxyphenyl)2(4isopropylbenzylidene)7methyl3oxo35dihydro2Hthiazolo(32a)pyrimidine6carboxylate
CCOC(=O)C1=C(C)N=c2n(C1c1ccc(c(c1)OC)OC)c(=O)c(=Cc1ccc(cc1)C(C)C)s2
CCOC(=O)C1=C(N=C2N(C1C3=CC(=C(C=C3)OC)OC)C(=O)C(=CC4=CC=C(C=C4)C(C)C)S2)C
ETHYL(2Z)5(34DIMETHOXYPHENYL)7METHYL3OXO2((4PROPAN2YLPHENYL)METHYLIDENE)5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
ethyl(2Z)5(34dimethoxyphenyl)7methyl3oxo2(4(propan2yl)benzylidene)23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
InChI=1SC28H30N2O5Sc173527(32)2417(4)292830(25(24)20121321(335)22(1520)346)26(31)23(3628)141881019(11918)16(2)3h81625H7H216H3b2314
MFCD01455394
ZINC000002289401
ZINC000002289403

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Available files

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