Vitas-M small molecule compound
(2Z)-2-[(6-{[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}-4,7-dimethoxy-1,3-benzodioxol-5-yl)methylidene]hydrazinecarbothioamide
Catalog ID
STK692981
SMILES COc1c(CC2ON=C(C2)c2ccc(cc2)F)c(/C=N\NC(=S)N)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 C21H21FN4O5S MW 460.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21FN4O5S/c1-27-17-14(7-13-8-16(26-31-13)11-3-5-12(22)6-4-11)15(9-24-25-21(23)32)18(28-2)20-19(17)29-10-30-20/h3-6,9,13H,7-8,10H2,1-2H3,(H3,23,25,32)/b24-9-InChIKey
FOWSICONJXYFMD-OPVMPGTRSA-NSynonyms
((Z)(6((3(4fluorophenyl)45dihydro12oxazol5yl)methyl)47dimethoxy13benzodioxol5yl)methylideneamino)thiourea
(2Z)2((6((3(4fluorophenyl)45dihydro12oxazol5yl)methyl)47dimethoxy13benzodioxol5yl)methylidene)hydrazinecarbothioamide
COC1=C2C(=C(C(=C1CC3CC(=NO3)C4=CC=C(C=C4)F)C=NNC(=S)N)OC)OCO2
COc1c(CC2ON=C(C2)c2ccc(cc2)F)c(C=NNC(=S)N)c(c2c1OCO2)OC
InChI=1SC21H21FN4O5Sc1271714(713816(263113)113512(22)6411)15(9242521(23)32)18(282)2019(17)29103020h36913H7810H212H3(H3232532)b249
MFCD10039015
ZINC000015085422
ZINC000015085424
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