Vitas-M small molecule compound
(2Z)-3-(1-{4-[(4-bromobenzyl)oxy]phenyl}-2,5-dimethyl-1H-pyrrol-3-yl)-2-cyano-N-(4-ethylphenyl)prop-2-enamide
Catalog ID
STK106127
SMILES CCc1ccc(cc1)NC(=O)/C(=C\c1cc(n(c1C)c1ccc(cc1)OCc1ccc(cc1)Br)C)/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 C31H28BrN3O2 MW 554.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H28BrN3O2/c1-4-23-7-11-28(12-8-23)34-31(36)26(19-33)18-25-17-21(2)35(22(25)3)29-13-15-30(16-14-29)37-20-24-5-9-27(32)10-6-24/h5-18H,4,20H2,1-3H3,(H,34,36)/b26-18-InChIKey
XAZLYKVTFSYKJA-ITYLOYPMSA-NSynonyms
(2Z)3(1(4((4BROMOBENZYL)OXY)PHENYL)25DIMETHYL1HPYRROL3YL)2CYANON(4ETHYLPHENYL)PROP2ENAMIDE
(Z)3(1(4((4bromophenyl)methoxy)phenyl)25dimethylpyrrol3yl)2cyanoN(4ethylphenyl)prop2enamide
CCC1=CC=C(C=C1)NC(=O)C(=CC2=C(N(C(=C2)C)C3=CC=C(C=C3)OCC4=CC=C(C=C4)Br)C)C#N
CCc1ccc(cc1)NC(=O)C(=Cc1cc(n(c1C)c1ccc(cc1)OCc1ccc(cc1)Br)C)C#N
InChI=1SC31H28BrN3O2c142371128(12823)3431(36)26(1933)18251721(2)35(22(25)3)29131530(161429)3720245927(32)10624h518H420H213H3(H3436)b2618
MFCD02194032
ZINC000097966248
ZINC97966248
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