Vitas-M small molecule compound
(2Z)-3-(1-{4-[(4-bromobenzyl)oxy]phenyl}-2,5-dimethyl-1H-pyrrol-3-yl)-2-cyano-N-(4-ethoxyphenyl)prop-2-enamide
Catalog ID
STK181027
SMILES CCOc1ccc(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 C31H28BrN3O3 MW 570.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H28BrN3O3/c1-4-37-29-13-9-27(10-14-29)34-31(36)25(19-33)18-24-17-21(2)35(22(24)3)28-11-15-30(16-12-28)38-20-23-5-7-26(32)8-6-23/h5-18H,4,20H2,1-3H3,(H,34,36)/b25-18-InChIKey
GKEIFWALEIFFOQ-BWAHOGKJSA-NSynonyms
(2Z)3(1(4((4BROMOBENZYL)OXY)PHENYL)25DIMETHYL1HPYRROL3YL)2CYANON(4ETHOXYPHENYL)PROP2ENAMIDE
(Z)3(1(4((4bromophenyl)methoxy)phenyl)25dimethylpyrrol3yl)2cyanoN(4ethoxyphenyl)prop2enamide
CCOC1=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
CCOc1ccc(cc1)NC(=O)C(=Cc1cc(n(c1C)c1ccc(cc1)OCc1ccc(cc1)Br)C)C#N
InChI=1SC31H28BrN3O3c14372913927(101429)3431(36)25(1933)18241721(2)35(22(24)3)28111530(161228)3820235726(32)8623h518H420H213H3(H3436)b2518
MFCD04575432
ZINC000097960695
ZINC97960695
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