Vitas-M small molecule compound
(2E)-2-(4-bromophenyl)-3-[3-chloro-5-ethoxy-4-(prop-2-yn-1-yloxy)phenyl]prop-2-enenitrile
Catalog ID
STK292893
SMILES C#CCOc1c(Cl)cc(cc1OCC)/C=C(\c1ccc(cc1)Br)/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 C20H15BrClNO2 MW 416.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H15BrClNO2/c1-3-9-25-20-18(22)11-14(12-19(20)24-4-2)10-16(13-23)15-5-7-17(21)8-6-15/h1,5-8,10-12H,4,9H2,2H3/b16-10-InChIKey
QPXYANLUKHLICS-YBEGLDIGSA-NSynonyms
(2E)2(4BROMOPHENYL)3(3CHLORO5ETHOXY4(PROP2YN1YLOXY)PHENYL)PROP2ENENITRILE
(E)2(4BROMOPHENYL)3(3CHLORO5ETHOXY4PROP2YNOXYPHENYL)PROP2ENENITRILE
C#CCOc1c(Cl)cc(cc1OCC)C=C(c1ccc(cc1)Br)C#N
CCOC1=C(C(=CC(=C1)C=C(C#N)C2=CC=C(C=C2)Br)Cl)OCC#C
InChI=1SC20H15BrClNO2c139252018(22)1114(1219(20)2442)1016(1323)155717(21)8615h1581012H49H22H3b1610
MFCD06626958
ZINC000016425885
ZINC16425885
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