Vitas-M small molecule compound
ethyl (2Z)-5-(1,3-benzodioxol-5-yl)-2-{4-[(2-chlorobenzyl)oxy]-3-iodo-5-methoxybenzylidene}-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK522648
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccc3c(c1)OCO3)c(=O)/c(=C/c1cc(I)c(c(c1)OC)OCc1ccccc1Cl)/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 C32H26ClIN2O7S MW 744.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H26ClIN2O7S/c1-4-40-31(38)27-17(2)35-32-36(28(27)19-9-10-23-24(14-19)43-16-42-23)30(37)26(44-32)13-18-11-22(34)29(25(12-18)39-3)41-15-20-7-5-6-8-21(20)33/h5-14,28H,4,15-16H2,1-3H3/b26-13-InChIKey
MVHITIJKIVPYPD-ZMFRSBBQSA-NSynonyms
CCOC(=O)C1=C(C)N=c2n(C1c1ccc3c(c1)OCO3)c(=O)c(=Cc1cc(I)c(c(c1)OC)OCc1ccccc1Cl)s2
CCOC(=O)C1=C(N=C2N(C1C3=CC4=C(C=C3)OCO4)C(=O)C(=CC5=CC(=C(C(=C5)I)OCC6=CC=CC=C6Cl)OC)S2)C
ETHYL(2Z)5(13BENZODIOXOL5YL)2((4((2CHLOROPHENYL)METHOXY)3IODO5METHOXYPHENYL)METHYLIDENE)7METHYL3OXO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
ethyl(2Z)5(13benzodioxol5yl)2(4((2chlorobenzyl)oxy)3iodo5methoxybenzylidene)7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
InChI=1SC32H26ClIN2O7Sc144031(38)2717(2)353236(28(27)199102324(1419)43164223)30(37)26(4432)13181122(34)29(25(1218)393)411520756821(20)33h51428H41516H213H3b2613
MFCD02378741
ZINC000097966294
ZINC000097966295
Check stock
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Check stock on Vitas-MAvailable files
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