Vitas-M small molecule compound
ethyl 2-{2,5-dimethyl-3-[(E)-(2-{[3-(trifluoromethyl)phenyl]acetyl}hydrazinylidene)methyl]-1H-pyrrol-1-yl}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK192650
SMILES CCOC(=O)c1c(sc2c1CCCC2)n1c(C)cc(c1C)/C=N/NC(=O)Cc1cccc(c1)C(F)(F)F
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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 C27H28F3N3O3S MW 531.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28F3N3O3S/c1-4-36-26(35)24-21-10-5-6-11-22(21)37-25(24)33-16(2)12-19(17(33)3)15-31-32-23(34)14-18-8-7-9-20(13-18)27(28,29)30/h7-9,12-13,15H,4-6,10-11,14H2,1-3H3,(H,32,34)/b31-15+InChIKey
XKSQOMUWUIALCQ-IBBHUPRXSA-NSynonyms
CCOC(=O)C1=C(SC2=C1CCCC2)N3C(=CC(=C3C)C=NNC(=O)CC4=CC(=CC=C4)C(F)(F)F)C
CCOC(=O)c1c(sc2c1CCCC2)n1c(C)cc(c1C)C=NNC(=O)Cc1cccc(c1)C(F)(F)F
ethyl2(25dimethyl3((E)((2(3(trifluoromethyl)phenyl)acetyl)hydrazinylidene)methyl)pyrrol1yl)4567tetrahydro1benzothiophene3carboxylate
ethyl2(25dimethyl3((E)(2((3(trifluoromethyl)phenyl)acetyl)hydrazinylidene)methyl)1Hpyrrol1yl)4567tetrahydro1benzothiophene3carboxylate
InChI=1SC27H28F3N3O3Sc143626(35)242110561122(21)3725(24)3316(2)1219(17(33)3)15313223(34)141887920(1318)27(2829)30h79121315H46101114H213H3(H3234)b3115+
MFCD01824947
ZINC000097960893
ZINC100209978
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