Vitas-M small molecule compound

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

Catalog ID
STK828432
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccc(c(c1)OC)OC)c(=O)/c(=C/c1ccc(c(c1)OC)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 C27H28N2O7S MW 524.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28N2O7S/c1-7-36-26(31)23-15(2)28-27-29(24(23)17-9-11-19(33-4)21(14-17)35-6)25(30)22(37-27)13-16-8-10-18(32-3)20(12-16)34-5/h8-14,24H,7H2,1-6H3/b22-13-
InChIKey
DQXUTWTXGXUFON-XKZIYDEJSA-N
Synonyms

(E)ethyl2(34dimethoxybenzylidene)5(34dimethoxyphenyl)7methyl3oxo35dihydro2Hthiazolo(32a)pyrimidine6carboxylate
CCOC(=O)C1=C(C)N=c2n(C1c1ccc(c(c1)OC)OC)c(=O)c(=Cc1ccc(c(c1)OC)OC)s2
CCOC(=O)C1=C(N=C2N(C1C3=CC(=C(C=C3)OC)OC)C(=O)C(=CC4=CC(=C(C=C4)OC)OC)S2)C
ethyl(2Z)2(34dimethoxybenzylidene)5(34dimethoxyphenyl)7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
ETHYL(2Z)5(34DIMETHOXYPHENYL)2((34DIMETHOXYPHENYL)METHYLIDENE)7METHYL3OXO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
InChI=1SC27H28N2O7Sc173626(31)2315(2)282729(24(23)1791119(334)21(1417)356)25(30)22(3727)131681018(323)20(1216)345h81424H7H216H3b2213
MFCD01072736
ZINC000000631668
ZINC000000631669

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Available files

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