Vitas-M small molecule compound

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

Catalog ID
STK702913
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)C(C)C)c(=O)/c(=C/c1cccc(c1OC)OC)/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)23-17(4)29-28-30(24(23)19-13-11-18(12-14-19)16(2)3)26(31)22(36-28)15-20-9-8-10-21(33-5)25(20)34-6/h8-16,24H,7H2,1-6H3/b22-15-
InChIKey
YEKOXMAUWNLUSF-JCMHNJIXSA-N
Synonyms
372185-15-4
(Z)ethyl2(23dimethoxybenzylidene)5(4isopropylphenyl)7methyl3oxo35dihydro2Hthiazolo(32a)pyrimidine6carboxylate
372185154
CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)C(C)C)c(=O)c(=Cc1cccc(c1OC)OC)s2
CCOC(=O)C1=C(N=C2N(C1C3=CC=C(C=C3)C(C)C)C(=O)C(=CC4=C(C(=CC=C4)OC)OC)S2)C
ETHYL(2Z)2((23DIMETHOXYPHENYL)METHYLIDENE)7METHYL3OXO5(4PROPAN2YLPHENYL)5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
ethyl(2Z)2(23dimethoxybenzylidene)7methyl3oxo5(4(propan2yl)phenyl)23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
InChI=1SC28H30N2O5Sc173527(32)2317(4)292830(24(23)19131118(121419)16(2)3)26(31)22(3628)1520981021(335)25(20)346h81624H7H216H3b2215
MFCD01942317
ZINC000002276129
ZINC000002276131

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Available files

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