Vitas-M small molecule compound
ethyl 2-{[(2Z)-2-cyano-3-{5-[3-(trifluoromethyl)phenyl]furan-2-yl}prop-2-enoyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STL021006
SMILES CCOC(=O)c1c(NC(=O)/C(=C\c2ccc(o2)c2cccc(c2)C(F)(F)F)/C#N)sc2c1CCC(C2)C
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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 C27H23F3N2O4S MW 528.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H23F3N2O4S/c1-3-35-26(34)23-20-9-7-15(2)11-22(20)37-25(23)32-24(33)17(14-31)13-19-8-10-21(36-19)16-5-4-6-18(12-16)27(28,29)30/h4-6,8,10,12-13,15H,3,7,9,11H2,1-2H3,(H,32,33)/b17-13-InChIKey
OBPNPXGRCJLBSV-LGMDPLHJSA-NSynonyms
(E)ethyl2(2cyano3(5(3(trifluoromethyl)phenyl)furan2yl)acrylamido)6methyl4567tetrahydrobenzo(b)thiophene3carboxylate
CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)C(=CC3=CC=C(O3)C4=CC(=CC=C4)C(F)(F)F)C#N
CCOC(=O)c1c(NC(=O)C(=Cc2ccc(o2)c2cccc(c2)C(F)(F)F)C#N)sc2c1CCC(C2)C
ethyl2(((2Z)2cyano3(5(3(trifluoromethyl)phenyl)furan2yl)prop2enoyl)amino)6methyl4567tetrahydro1benzothiophene3carboxylate
ethyl2(((Z)2cyano3(5(3(trifluoromethyl)phenyl)furan2yl)prop2enoyl)amino)6methyl4567tetrahydro1benzothiophene3carboxylate
InChI=1SC27H23F3N2O4Sc133526(34)23209715(2)1122(20)3725(23)3224(33)17(1431)131981021(3619)1654618(1216)27(2829)30h46810121315H37911H212H3(H3233)b1713
MFCD18187185
ZINC000097971152
ZINC000097971153
Check stock
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Check stock on Vitas-MAvailable files
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