Vitas-M small molecule compound
(2E)-3-{2,5-dimethyl-1-[4-(tricyclo[3.3.1.1~3,7~]dec-1-yl)phenyl]-1H-pyrrol-3-yl}-2-[(4-phenylpiperazin-1-yl)carbonyl]prop-2-enenitrile
Catalog ID
STK364867
SMILES N#C/C(=C\c1cc(n(c1C)c1ccc(cc1)C12CC3CC(C2)CC(C1)C3)C)/C(=O)N1CCN(CC1)c1ccccc1
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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 C36H40N4O MW 544.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H40N4O/c1-25-16-30(20-31(24-37)35(41)39-14-12-38(13-15-39)33-6-4-3-5-7-33)26(2)40(25)34-10-8-32(9-11-34)36-21-27-17-28(22-36)19-29(18-27)23-36/h3-11,16,20,27-29H,12-15,17-19,21-23H2,1-2H3/b31-20+InChIKey
KCNRWZPZYLPLLQ-AJBULDERSA-NSynonyms
(2E)3(1(4ADAMANTANYLPHENYL)25DIMETHYLPYRROL3YL)2((4PHENYLPIPERAZINYL)CARBONYL)PROP2ENENITRILE
(2E)3(25dimethyl1(4(tricyclo(3311~37~)dec1yl)phenyl)1Hpyrrol3yl)2((4phenylpiperazin1yl)carbonyl)prop2enenitrile
(E)3(1(4(1ADAMANTYL)PHENYL)25DIMETHYLPYRROL3YL)2(4PHENYLPIPERAZINE1CARBONYL)PROP2ENENITRILE
CC1=CC(=C(N1C2=CC=C(C=C2)C34CC5CC(C3)CC(C5)C4)C)C=C(C#N)C(=O)N6CCN(CC6)C7=CC=CC=C7
InChI=1SC36H40N4Oc1251630(2031(2437)35(41)39141238(131539)336435733)26(2)40(25)3410832(91134)3621271728(2236)1929(1827)2336h31116202729H121517192123H212H3b3120+
MFCD02602745
N#CC(=Cc1cc(n(c1C)c1ccc(cc1)C12CC3CC(C2)CC(C1)C3)C)C(=O)N1CCN(CC1)c1ccccc1
ZINC000004081815
ZINC4081815
Check stock
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Check stock on Vitas-MAvailable files
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