Vitas-M small molecule compound
N'-[(Z)-(5-{[3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}-6,7-dimethoxy-1,3-benzodioxol-4-yl)methylidene]thiophene-2-carbohydrazide
Catalog ID
STK693137
SMILES COc1c(CC2ON=C(C2)c2ccc(cc2)Cl)c(/C=N\NC(=O)c2cccs2)c2c(c1OC)OCO2
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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 C25H22ClN3O6S MW 527.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22ClN3O6S/c1-31-21-17(10-16-11-19(29-35-16)14-5-7-15(26)8-6-14)18(22-24(23(21)32-2)34-13-33-22)12-27-28-25(30)20-4-3-9-36-20/h3-9,12,16H,10-11,13H2,1-2H3,(H,28,30)/b27-12-InChIKey
UCTAXVJGEZCTPO-PPDIBHTLSA-NSynonyms
COC1=C(C2=C(C(=C1CC3CC(=NO3)C4=CC=C(C=C4)Cl)C=NNC(=O)C5=CC=CS5)OCO2)OC
COc1c(CC2ON=C(C2)c2ccc(cc2)Cl)c(C=NNC(=O)c2cccs2)c2c(c1OC)OCO2
InChI=1SC25H22ClN3O6Sc1312117(10161119(293516)145715(26)8614)18(2224(23(21)322)34133322)12272825(30)204393620h391216H101113H212H3(H2830)b2712
MFCD10039215
N((Z)(5((3(4chlorophenyl)45dihydro12oxazol5yl)methyl)67dimethoxy13benzodioxol4yl)methylidene)thiophene2carbohydrazide
N((Z)(5((3(4chlorophenyl)45dihydro12oxazol5yl)methyl)67dimethoxy13benzodioxol4yl)methylideneamino)thiophene2carboxamide
ZINC000100238948
ZINC000100238949
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