Vitas-M small molecule compound
2-({(2E)-3-[4-(benzyloxy)-3-ethoxyphenyl]-2-cyanoprop-2-enoyl}amino)-N-(tetrahydrofuran-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Catalog ID
STK514678
SMILES CCOc1cc(ccc1OCc1ccccc1)/C=C(/C(=O)Nc1sc2c(c1C(=O)NCC1CCCO1)CCCC2)\C#N
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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 C33H35N3O5S MW 585.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H35N3O5S/c1-2-39-28-18-23(14-15-27(28)41-21-22-9-4-3-5-10-22)17-24(19-34)31(37)36-33-30(26-12-6-7-13-29(26)42-33)32(38)35-20-25-11-8-16-40-25/h3-5,9-10,14-15,17-18,25H,2,6-8,11-13,16,20-21H2,1H3,(H,35,38)(H,36,37)/b24-17+InChIKey
OXWQAHXUZRWYLR-JJIBRWJFSA-NSynonyms
2(((2E)3(4(benzyloxy)3ethoxyphenyl)2cyanoprop2enoyl)amino)N(tetrahydrofuran2ylmethyl)4567tetrahydro1benzothiophene3carboxamide
2(((E)2cyano3(3ethoxy4phenylmethoxyphenyl)prop2enoyl)amino)N(oxolan2ylmethyl)4567tetrahydro1benzothiophene3carboxamide
CCOC1=C(C=CC(=C1)C=C(C#N)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)NCC4CCCO4)OCC5=CC=CC=C5
CCOc1cc(ccc1OCc1ccccc1)C=C(C(=O)Nc1sc2c(c1C(=O)NCC1CCCO1)CCCC2)C#N
InChI=1SC33H35N3O5Sc1239281823(141527(28)41212294351022)1724(1934)31(37)363330(2612671329(26)4233)32(38)352025118164025h359101415171825H2681113162021H21H3(H3538)(H3637)b2417+
MFCD06644944
ZINC000097946768
ZINC000097946769
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.