Vitas-M small molecule compound
ethyl 2-{[(2E)-3-{5-[(4-bromophenoxy)methyl]furan-2-yl}-2-cyanoprop-2-enoyl]amino}-5-(propan-2-yl)thiophene-3-carboxylate
Catalog ID
STK473602
SMILES CCOC(=O)c1cc(sc1NC(=O)/C(=C/c1ccc(o1)COc1ccc(cc1)Br)/C#N)C(C)C
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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 C25H23BrN2O5S MW 543.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H23BrN2O5S/c1-4-31-25(30)21-12-22(15(2)3)34-24(21)28-23(29)16(13-27)11-19-9-10-20(33-19)14-32-18-7-5-17(26)6-8-18/h5-12,15H,4,14H2,1-3H3,(H,28,29)/b16-11+InChIKey
RCPCXZGTBGURGA-LFIBNONCSA-NSynonyms
CCOC(=O)C1=C(SC(=C1)C(C)C)NC(=O)C(=CC2=CC=C(O2)COC3=CC=C(C=C3)Br)C#N
CCOC(=O)c1cc(sc1NC(=O)C(=Cc1ccc(o1)COc1ccc(cc1)Br)C#N)C(C)C
ethyl2(((2E)3(5((4bromophenoxy)methyl)furan2yl)2cyanoprop2enoyl)amino)5(propan2yl)thiophene3carboxylate
ethyl2(((E)3(5((4bromophenoxy)methyl)furan2yl)2cyanoprop2enoyl)amino)5propan2ylthiophene3carboxylate
ETHYL2((2E)3(5((4BROMOPHENOXY)METHYL)(2FURYL))2CYANOPROP2ENOYLAMINO)5(METHYLETHYL)THIOPHENE3CARBOXYLATE
InChI=1SC25H23BrN2O5Sc143125(30)211222(15(2)3)3424(21)2823(29)16(1327)111991020(3319)1432187517(26)6818h51215H414H213H3(H2829)b1611+
MFCD07077844
ZINC000097965829
ZINC97965829
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