Vitas-M small molecule compound
(2Z)-3-{4-[(4-bromobenzyl)oxy]-3-chloro-5-ethoxyphenyl}-2-cyano-N-(4-ethoxyphenyl)prop-2-enamide
Catalog ID
STK182387
SMILES CCOc1cc(/C=C(\C(=O)Nc2ccc(cc2)OCC)/C#N)cc(c1OCc1ccc(cc1)Br)Cl
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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 C27H24BrClN2O4 MW 555.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H24BrClN2O4/c1-3-33-23-11-9-22(10-12-23)31-27(32)20(16-30)13-19-14-24(29)26(25(15-19)34-4-2)35-17-18-5-7-21(28)8-6-18/h5-15H,3-4,17H2,1-2H3,(H,31,32)/b20-13-InChIKey
YRJHXAXKMSSCGE-MOSHPQCFSA-NSynonyms
(2Z)3(4((4BROMOBENZYL)OXY)3CHLORO5ETHOXYPHENYL)2CYANON(4ETHOXYPHENYL)PROP2ENAMIDE
(Z)3(4((4bromophenyl)methoxy)3chloro5ethoxyphenyl)2cyanoN(4ethoxyphenyl)prop2enamide
CCOC1=CC=C(C=C1)NC(=O)C(=CC2=CC(=C(C(=C2)Cl)OCC3=CC=C(C=C3)Br)OCC)C#N
CCOc1cc(C=C(C(=O)Nc2ccc(cc2)OCC)C#N)cc(c1OCc1ccc(cc1)Br)Cl
InChI=1SC27H24BrClN2O4c13332311922(101223)3127(32)20(1630)13191424(29)26(25(1519)3442)3517185721(28)8618h515H3417H212H3(H3132)b2013
MFCD02193508
ZINC000097960712
ZINC97960712
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