Vitas-M small molecule compound
ethyl (2Z)-2-[3-iodo-4-(prop-2-yn-1-yloxy)benzylidene]-5-(4-methoxyphenyl)-3-oxo-7-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STL181372
SMILES CCOC(=O)C1=C(N=c2n(C1c1ccc(cc1)OC)c(=O)/c(=C/c1ccc(c(c1)I)OCC#C)/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 C32H25IN2O5S MW 676.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H25IN2O5S/c1-4-17-40-25-16-11-20(18-24(25)33)19-26-30(36)35-29(22-12-14-23(38-3)15-13-22)27(31(37)39-5-2)28(34-32(35)41-26)21-9-7-6-8-10-21/h1,6-16,18-19,29H,5,17H2,2-3H3/b26-19-InChIKey
ACAGFMLYNHPTCH-XHPQRKPJSA-NSynonyms
CCOC(=O)C1=C(N=c2n(C1c1ccc(cc1)OC)c(=O)c(=Cc1ccc(c(c1)I)OCC#C)s2)c1ccccc1
CCOC(=O)C1=C(N=C2N(C1C3=CC=C(C=C3)OC)C(=O)C(=CC4=CC(=C(C=C4)OCC#C)I)S2)C5=CC=CC=C5
ethyl(2Z)2((3iodo4prop2ynoxyphenyl)methylidene)5(4methoxyphenyl)3oxo7phenyl5H(13)thiazolo(32a)pyrimidine6carboxylate
ethyl(2Z)2(3iodo4(prop2yn1yloxy)benzylidene)5(4methoxyphenyl)3oxo7phenyl23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
InChI=1SC32H25IN2O5Sc14174025161120(1824(25)33)192630(36)3529(22121423(383)151322)27(31(37)3952)28(3432(35)4126)2197681021h1616181929H517H223H3b2619
MFCD02374402
ZINC000098045915
ZINC000098045916
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