Vitas-M small molecule compound
N'-[(E)-(6-{[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}-4,7-dimethoxy-1,3-benzodioxol-5-yl)methylidene]-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-7-carbohydrazide
Catalog ID
STK693179
SMILES COc1c(/C=N/NC(=O)c2cc(=O)n3c(n2)scc3)c(CC2ON=C(C2)c2ccc(cc2)F)c(c2c1OCO2)OC
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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 C27H22FN5O7S MW 579.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H22FN5O7S/c1-36-22-17(9-16-10-19(32-40-16)14-3-5-15(28)6-4-14)18(23(37-2)25-24(22)38-13-39-25)12-29-31-26(35)20-11-21(34)33-7-8-41-27(33)30-20/h3-8,11-12,16H,9-10,13H2,1-2H3,(H,31,35)/b29-12+InChIKey
IETJIGPAHQYILA-XKJRVUDJSA-NSynonyms
COC1=C2C(=C(C(=C1CC3CC(=NO3)C4=CC=C(C=C4)F)C=NNC(=O)C5=CC(=O)N6C=CSC6=N5)OC)OCO2
COc1c(C=NNC(=O)c2cc(=O)n3c(n2)scc3)c(CC2ON=C(C2)c2ccc(cc2)F)c(c2c1OCO2)OC
InChI=1SC27H22FN5O7Sc1362217(9161019(324016)143515(28)6414)18(23(372)2524(22)38133925)12293126(35)201121(34)33784127(33)3020h38111216H91013H212H3(H3135)b2912+
MFCD10039250
N((E)(6((3(4fluorophenyl)45dihydro12oxazol5yl)methyl)47dimethoxy13benzodioxol5yl)methylidene)5oxo5H(13)thiazolo(32a)pyrimidine7carbohydrazide
N((E)(6((3(4fluorophenyl)45dihydro12oxazol5yl)methyl)47dimethoxy13benzodioxol5yl)methylideneamino)5oxo(13)thiazolo(32a)pyrimidine7carboxamide
ZINC000100238997
ZINC000100238999
Check stock
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Check stock on Vitas-MAvailable files
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