Vitas-M small molecule compound
ethyl (2Z)-2-[4-(2-amino-2-oxoethoxy)-3-ethoxybenzylidene]-5-(3,4-diethoxyphenyl)-3-oxo-7-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK068329
SMILES CCOC(=O)C1=C(N=c2n(C1c1ccc(c(c1)OCC)OCC)c(=O)/c(=C/c1ccc(c(c1)OCC)OCC(=O)N)/s2)c1ccccc1
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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 C36H37N3O8S MW 671.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H37N3O8S/c1-5-43-25-17-15-24(20-28(25)45-7-3)33-31(35(42)46-8-4)32(23-12-10-9-11-13-23)38-36-39(33)34(41)29(48-36)19-22-14-16-26(47-21-30(37)40)27(18-22)44-6-2/h9-20,33H,5-8,21H2,1-4H3,(H2,37,40)/b29-19-InChIKey
GIOBGHIXIWNVOL-CEUNXORHSA-NSynonyms
CCOC(=O)C1=C(N=c2n(C1c1ccc(c(c1)OCC)OCC)c(=O)c(=Cc1ccc(c(c1)OCC)OCC(=O)N)s2)c1ccccc1
CCOC1=C(C=C(C=C1)C2C(=C(N=C3N2C(=O)C(=CC4=CC(=C(C=C4)OCC(=O)N)OCC)S3)C5=CC=CC=C5)C(=O)OCC)OCC
ETHYL(2Z)2((4(2AMINO2OXOETHOXY)3ETHOXYPHENYL)METHYLIDENE)5(34DIETHOXYPHENYL)3OXO7PHENYL5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
ETHYL(2Z)2(4(2AMINO2OXOETHOXY)3ETHOXYBENZYLIDENE)5(34DIETHOXYPHENYL)3OXO7PHENYL23DIHYDRO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
InChI=1SC36H37N3O8Sc154325171524(2028(25)4573)3331(35(42)4684)32(2312109111323)383639(33)34(41)29(4836)1922141626(472130(37)40)27(1822)4462h92033H5821H214H3(H23740)b2919
MFCD08051863
STK068329
ZINC000097958901
ZINC000097958902
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