Vitas-M small molecule compound
butyl 2-{[(2E)-3-(1-benzyl-1H-indol-3-yl)-2-cyanoprop-2-enoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STL021043
SMILES CCCCOC(=O)c1c(NC(=O)/C(=C/c2cn(c3c2cccc3)Cc2ccccc2)/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 C32H31N3O3S MW 537.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H31N3O3S/c1-2-3-17-38-32(37)29-26-14-8-10-16-28(26)39-31(29)34-30(36)23(19-33)18-24-21-35(20-22-11-5-4-6-12-22)27-15-9-7-13-25(24)27/h4-7,9,11-13,15,18,21H,2-3,8,10,14,16-17,20H2,1H3,(H,34,36)/b23-18+InChIKey
XMMHJAIOHYDEJZ-PTGBLXJZSA-NSynonyms
497229-17-1(E)butyl2(3(1benzyl1Hindol3yl)2cyanoacrylamido)4567tetrahydrobenzo(b)thiophene3carboxylate
497229171
butyl2(((2E)3(1benzyl1Hindol3yl)2cyanoprop2enoyl)amino)4567tetrahydro1benzothiophene3carboxylate
butyl2(((E)3(1benzylindol3yl)2cyanoprop2enoyl)amino)4567tetrahydro1benzothiophene3carboxylate
CCCCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C(=CC3=CN(C4=CC=CC=C43)CC5=CC=CC=C5)C#N
CCCCOC(=O)c1c(NC(=O)C(=Cc2cn(c3c2cccc3)Cc2ccccc2)C#N)sc2c1CCCC2
InChI=1SC32H31N3O3Sc123173832(37)2926148101628(26)3931(29)3430(36)23(1933)18242135(2022115461222)2715971325(24)27h4791113151821H2381014161720H21H3(H3436)b2318+
MFCD03300483
ZINC000002343561
ZINC2343561
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