Vitas-M small molecule compound

ethyl 2-{[(2E)-3-(5-bromo-2-hydroxyphenyl)-2-cyanoprop-2-enoyl]amino}-4-(4-chlorophenyl)thiophene-3-carboxylate

Catalog ID
STL020987
SMILES CCOC(=O)c1c(scc1c1ccc(cc1)Cl)NC(=O)/C(=C/c1cc(Br)ccc1O)/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 C23H16BrClN2O4S MW 531.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H16BrClN2O4S/c1-2-31-23(30)20-18(13-3-6-17(25)7-4-13)12-32-22(20)27-21(29)15(11-26)9-14-10-16(24)5-8-19(14)28/h3-10,12,28H,2H2,1H3,(H,27,29)/b15-9+
InChIKey
OFXNLWHIRIVTAP-OQLLNIDSSA-N
Synonyms
380455-77-6
(E)ethyl2(3(5bromo2hydroxyphenyl)2cyanoacrylamido)4(4chlorophenyl)thiophene3carboxylate
380455776
CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)Cl)NC(=O)C(=CC3=C(C=CC(=C3)Br)O)C#N
CCOC(=O)c1c(scc1c1ccc(cc1)Cl)NC(=O)C(=Cc1cc(Br)ccc1O)C#N
ethyl2(((2E)3(5bromo2hydroxyphenyl)2cyanoprop2enoyl)amino)4(4chlorophenyl)thiophene3carboxylate
ETHYL2(((E)3(5BROMO2HYDROXYPHENYL)2CYANOPROP2ENOYL)AMINO)4(4CHLOROPHENYL)THIOPHENE3CARBOXYLATE
ETHYL2((2E)3(5BROMO2HYDROXYPHENYL)2CYANOPROP2ENOYLAMINO)4(4CHLOROPHENYL)THIOPHENE3CARBOXYLATE
InChI=1SC23H16BrClN2O4Sc123123(30)2018(133617(25)7413)123222(20)2721(29)15(1126)9141016(24)5819(14)28h3101228H2H21H3(H2729)b159+
MFCD02957234
ZINC000002349143
ZINC2349143

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.