Vitas-M small molecule compound
ethyl (2Z)-5-(1,3-benzodioxol-5-yl)-2-[4-(benzyloxy)-3-iodo-5-methoxybenzylidene]-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK522651
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccc3c(c1)OCO3)c(=O)/c(=C/c1cc(I)c(c(c1)OC)OCc1ccccc1)/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 C32H27IN2O7S MW 710.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H27IN2O7S/c1-4-39-31(37)27-18(2)34-32-35(28(27)21-10-11-23-24(15-21)42-17-41-23)30(36)26(43-32)14-20-12-22(33)29(25(13-20)38-3)40-16-19-8-6-5-7-9-19/h5-15,28H,4,16-17H2,1-3H3/b26-14-InChIKey
SAEKPOLKYVAXNV-WGARJPEWSA-NSynonyms
CCOC(=O)C1=C(C)N=c2n(C1c1ccc3c(c1)OCO3)c(=O)c(=Cc1cc(I)c(c(c1)OC)OCc1ccccc1)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=C6)OC)S2)C
ETHYL(2Z)5(13BENZODIOXOL5YL)2((3IODO5METHOXY4PHENYLMETHOXYPHENYL)METHYLIDENE)7METHYL3OXO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
ethyl(2Z)5(13benzodioxol5yl)2(4(benzyloxy)3iodo5methoxybenzylidene)7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
InChI=1SC32H27IN2O7Sc143931(37)2718(2)343235(28(27)2110112324(1521)42174123)30(36)26(4332)14201222(33)29(25(1320)383)4016198657919h51528H41617H213H3b2614
MFCD02378743
ZINC000097966296
ZINC000097966297
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.