Vitas-M small molecule compound
ethyl (2Z)-5-(1,3-benzodioxol-5-yl)-2-{4-[(2-chlorobenzyl)oxy]-3-methoxybenzylidene}-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK522645
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccc3c(c1)OCO3)c(=O)/c(=C/c1ccc(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 C32H27ClN2O7S MW 619.09 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H27ClN2O7S/c1-4-39-31(37)28-18(2)34-32-35(29(28)20-10-12-24-26(15-20)42-17-41-24)30(36)27(43-32)14-19-9-11-23(25(13-19)38-3)40-16-21-7-5-6-8-22(21)33/h5-15,29H,4,16-17H2,1-3H3/b27-14-InChIKey
JFQQGOBBNAXTMX-VYYCAZPPSA-NSynonyms
CCOC(=O)C1=C(C)N=c2n(C1c1ccc3c(c1)OCO3)c(=O)c(=Cc1ccc(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)OCC6=CC=CC=C6Cl)OC)S2)C
ETHYL(2Z)5(13BENZODIOXOL5YL)2((4((2CHLOROPHENYL)METHOXY)3METHOXYPHENYL)METHYLIDENE)7METHYL3OXO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
ethyl(2Z)5(13benzodioxol5yl)2(4((2chlorobenzyl)oxy)3methoxybenzylidene)7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
InChI=1SC32H27ClN2O7Sc143931(37)2818(2)343235(29(28)2010122426(1520)42174124)30(36)27(4332)141991123(25(1319)383)401621756822(21)33h51529H41617H213H3b2714
MFCD01455731
ZINC000100534144
ZINC000100534147
Check stock
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Check stock on Vitas-MAvailable files
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