Vitas-M small molecule compound
ethyl 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
STK739792
SMILES CCOC(=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 C30H27N3O3S MW 509.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H27N3O3S/c1-2-36-30(35)27-24-13-7-9-15-26(24)37-29(27)32-28(34)21(17-31)16-22-19-33(18-20-10-4-3-5-11-20)25-14-8-6-12-23(22)25/h3-6,8,10-12,14,16,19H,2,7,9,13,15,18H2,1H3,(H,32,34)/b21-16+InChIKey
SRDFADIMTWNWCT-LTGZKZEYSA-NSynonyms
372505-24-3(E)ethyl2(3(1benzyl1Hindol3yl)2cyanoacrylamido)4567tetrahydrobenzo(b)thiophene3carboxylate
372505243
CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C(=CC3=CN(C4=CC=CC=C43)CC5=CC=CC=C5)C#N
CCOC(=O)c1c(NC(=O)C(=Cc2cn(c3c2cccc3)Cc2ccccc2)C#N)sc2c1CCCC2
ethyl2(((2E)3(1benzyl1Hindol3yl)2cyanoprop2enoyl)amino)4567tetrahydro1benzothiophene3carboxylate
ethyl2(((E)3(1benzylindol3yl)2cyanoprop2enoyl)amino)4567tetrahydro1benzothiophene3carboxylate
InChI=1SC30H27N3O3Sc123630(35)272413791526(24)3729(27)3228(34)21(1731)16221933(1820104351120)2514861223(22)25h3681012141619H279131518H21H3(H3234)b2116+
MFCD01944961
ZINC000001769639
ZINC01769639
ZINC1769639
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