Vitas-M small molecule compound
ethyl 2-{[(2E)-3-{4-[(3-chlorobenzyl)oxy]-3-ethoxyphenyl}-2-cyanoprop-2-enoyl]amino}-5-(propan-2-yl)thiophene-3-carboxylate
Catalog ID
STK473579
SMILES CCOc1cc(ccc1OCc1cccc(c1)Cl)/C=C(/C(=O)Nc1sc(cc1C(=O)OCC)C(C)C)\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 C29H29ClN2O5S MW 553.08 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H29ClN2O5S/c1-5-35-25-14-19(10-11-24(25)37-17-20-8-7-9-22(30)13-20)12-21(16-31)27(33)32-28-23(29(34)36-6-2)15-26(38-28)18(3)4/h7-15,18H,5-6,17H2,1-4H3,(H,32,33)/b21-12+InChIKey
HVMCMHUXFDGBDD-CIAFOILYSA-NSynonyms
CCOC1=C(C=CC(=C1)C=C(C#N)C(=O)NC2=C(C=C(S2)C(C)C)C(=O)OCC)OCC3=CC(=CC=C3)Cl
CCOc1cc(ccc1OCc1cccc(c1)Cl)C=C(C(=O)Nc1sc(cc1C(=O)OCC)C(C)C)C#N
ethyl2(((2E)3(4((3chlorobenzyl)oxy)3ethoxyphenyl)2cyanoprop2enoyl)amino)5(propan2yl)thiophene3carboxylate
ethyl2(((E)3(4((3chlorophenyl)methoxy)3ethoxyphenyl)2cyanoprop2enoyl)amino)5propan2ylthiophene3carboxylate
ETHYL2((2E)3(4((3CHLOROPHENYL)METHOXY)3ETHOXYPHENYL)2CYANOPROP2ENOYLAMINO)5(METHYLETHYL)THIOPHENE3CARBOXYLATE
InChI=1SC29H29ClN2O5Sc1535251419(101124(25)37172087922(30)1320)1221(1631)27(33)322823(29(34)3662)1526(3828)18(3)4h71518H5617H214H3(H3233)b2112+
MFCD07093635
ZINC000097965824
ZINC97965824
Check stock
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Check stock on Vitas-MAvailable files
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