Vitas-M small molecule compound
(2E)-2-[(5-{[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}-6,7-dimethoxy-1,3-benzodioxol-4-yl)methylidene]hydrazinecarbothioamide
Catalog ID
STK693184
SMILES COc1c(CC2ON=C(C2)c2ccc(cc2)F)c(/C=N/NC(=S)N)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 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)18-20(19(17)28-2)30-10-29-18/h3-6,9,13H,7-8,10H2,1-2H3,(H3,23,25,32)/b24-9+InChIKey
FNLUVNJAESGBSH-PGGKNCGUSA-NSynonyms
((E)(5((3(4fluorophenyl)45dihydro12oxazol5yl)methyl)67dimethoxy13benzodioxol4yl)methylideneamino)thiourea
(2E)2((5((3(4fluorophenyl)45dihydro12oxazol5yl)methyl)67dimethoxy13benzodioxol4yl)methylidene)hydrazinecarbothioamide
COC1=C(C2=C(C(=C1CC3CC(=NO3)C4=CC=C(C=C4)F)C=NNC(=S)N)OCO2)OC
COc1c(CC2ON=C(C2)c2ccc(cc2)F)c(C=NNC(=S)N)c2c(c1OC)OCO2
InChI=1SC21H21FN4O5Sc1271714(713816(263113)113512(22)6411)15(9242521(23)32)1820(19(17)282)30102918h36913H7810H212H3(H3232532)b249+
MFCD10039255
ZINC000015086091
ZINC000015086093
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