Vitas-M small molecule compound

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

Catalog ID
STK698703
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)OCC)c(=O)/c(=C/c1cc(Cl)c(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 C27H27ClN2O6S MW 543.04 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27ClN2O6S/c1-6-35-18-10-8-17(9-11-18)23-22(26(32)36-7-2)15(3)29-27-30(23)25(31)21(37-27)14-16-12-19(28)24(34-5)20(13-16)33-4/h8-14,23H,6-7H2,1-5H3/b21-14-
InChIKey
OCRJLNHSESZFBE-STZFKDTASA-N
Synonyms
370854-17-4
(Z)ethyl2(3chloro45dimethoxybenzylidene)5(4ethoxyphenyl)7methyl3oxo35dihydro2Hthiazolo(32a)pyrimidine6carboxylate
370854174
CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)OCC)c(=O)c(=Cc1cc(Cl)c(c(c1)OC)OC)s2
CCOC1=CC=C(C=C1)C2C(=C(N=C3N2C(=O)C(=CC4=CC(=C(C(=C4)Cl)OC)OC)S3)C)C(=O)OCC
ETHYL(2Z)2((3CHLORO45DIMETHOXYPHENYL)METHYLIDENE)5(4ETHOXYPHENYL)7METHYL3OXO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
ethyl(2Z)2(3chloro45dimethoxybenzylidene)5(4ethoxyphenyl)7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
InChI=1SC27H27ClN2O6Sc16351810817(91118)2322(26(32)3672)15(3)292730(23)25(31)21(3727)14161219(28)24(345)20(1316)334h81423H67H215H3b2114
MFCD02999945
ZINC000002164099
ZINC000002164103

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Available files

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