Vitas-M small molecule compound
butyl 2-{[(2E)-2-cyano-3-{5-[3-(trifluoromethyl)phenyl]furan-2-yl}prop-2-enoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STL021034
SMILES CCCCOC(=O)c1c(NC(=O)/C(=C/c2ccc(o2)c2cccc(c2)C(F)(F)F)/C#N)sc2c1CCCC2
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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 C28H25F3N2O4S MW 542.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H25F3N2O4S/c1-2-3-13-36-27(35)24-21-9-4-5-10-23(21)38-26(24)33-25(34)18(16-32)15-20-11-12-22(37-20)17-7-6-8-19(14-17)28(29,30)31/h6-8,11-12,14-15H,2-5,9-10,13H2,1H3,(H,33,34)/b18-15+InChIKey
UFGPNYCFKQVNJX-OBGWFSINSA-NSynonyms
488708-23-2(E)butyl2(2cyano3(5(3(trifluoromethyl)phenyl)furan2yl)acrylamido)4567tetrahydrobenzo(b)thiophene3carboxylate
488708232
butyl2(((2E)2cyano3(5(3(trifluoromethyl)phenyl)furan2yl)prop2enoyl)amino)4567tetrahydro1benzothiophene3carboxylate
butyl2(((E)2cyano3(5(3(trifluoromethyl)phenyl)furan2yl)prop2enoyl)amino)4567tetrahydro1benzothiophene3carboxylate
CCCCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C(=CC3=CC=C(O3)C4=CC(=CC=C4)C(F)(F)F)C#N
CCCCOC(=O)c1c(NC(=O)C(=Cc2ccc(o2)c2cccc(c2)C(F)(F)F)C#N)sc2c1CCCC2
InChI=1SC28H25F3N2O4Sc123133627(35)24219451023(21)3826(24)3325(34)18(1632)1520111222(3720)1776819(1417)28(2930)31h6811121415H2591013H21H3(H3334)b1815+
MFCD03290689
ZINC000002335789
ZINC2335789
Check stock
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Check stock on Vitas-MAvailable files
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