Vitas-M small molecule compound
ethyl (2Z)-5-(3,4-dimethoxyphenyl)-2-(2-hydroxy-3,5-diiodobenzylidene)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK522573
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccc(c(c1)OC)OC)c(=O)/c(=C/c1cc(I)cc(c1O)I)/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 C25H22I2N2O6S MW 732.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22I2N2O6S/c1-5-35-24(32)20-12(2)28-25-29(21(20)13-6-7-17(33-3)18(9-13)34-4)23(31)19(36-25)10-14-8-15(26)11-16(27)22(14)30/h6-11,21,30H,5H2,1-4H3/b19-10-InChIKey
HJXWHISNAPMYHZ-GRSHGNNSSA-NSynonyms
CCOC(=O)C1=C(C)N=c2n(C1c1ccc(c(c1)OC)OC)c(=O)c(=Cc1cc(I)cc(c1O)I)s2
CCOC(=O)C1=C(N=C2N(C1C3=CC(=C(C=C3)OC)OC)C(=O)C(=CC4=CC(=CC(=C4O)I)I)S2)C
ETHYL(2Z)5(34DIMETHOXYPHENYL)2((2HYDROXY35DIIODOPHENYL)METHYLIDENE)7METHYL3OXO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
ethyl(2Z)5(34dimethoxyphenyl)2(2hydroxy35diiodobenzylidene)7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
InChI=1SC25H22I2N2O6Sc153524(32)2012(2)282529(21(20)136717(333)18(913)344)23(31)19(3625)1014815(26)1116(27)22(14)30h6112130H5H214H3b1910
MFCD01592254
ZINC000097966276
ZINC000097966277
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