Vitas-M small molecule compound
ethyl 2-{[(2E)-2-cyano-3-(2,4-diethoxyphenyl)prop-2-enoyl]amino}thiophene-3-carboxylate
Catalog ID
STK473607
SMILES CCOc1ccc(c(c1)OCC)/C=C(/C(=O)Nc1sccc1C(=O)OCC)\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 C21H22N2O5S MW 414.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N2O5S/c1-4-26-16-8-7-14(18(12-16)27-5-2)11-15(13-22)19(24)23-20-17(9-10-29-20)21(25)28-6-3/h7-12H,4-6H2,1-3H3,(H,23,24)/b15-11+InChIKey
WPUGDRSFUKIXCA-RVDMUPIBSA-NSynonyms
CCOC1=CC(=C(C=C1)C=C(C#N)C(=O)NC2=C(C=CS2)C(=O)OCC)OCC
CCOc1ccc(c(c1)OCC)C=C(C(=O)Nc1sccc1C(=O)OCC)C#N
ethyl2(((2E)2cyano3(24diethoxyphenyl)prop2enoyl)amino)thiophene3carboxylate
ethyl2(((E)2cyano3(24diethoxyphenyl)prop2enoyl)amino)thiophene3carboxylate
ETHYL2((2E)3(24DIETHOXYPHENYL)2CYANOPROP2ENOYLAMINO)THIOPHENE3CARBOXYLATE
InChI=1SC21H22N2O5Sc1426168714(18(1216)2752)1115(1322)19(24)232017(9102920)21(25)2863h712H46H213H3(H2324)b1511+
MFCD07078972
ZINC000017089847
ZINC17089847
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