Vitas-M small molecule compound
(2E)-2-cyano-3-{2,5-dimethyl-1-[4-(tricyclo[3.3.1.1~3,7~]dec-1-yl)phenyl]-1H-pyrrol-3-yl}-N-[2-(1H-indol-3-yl)ethyl]prop-2-enamide
Catalog ID
STK183136
SMILES N#C/C(=C\c1cc(n(c1C)c1ccc(cc1)C12CC3CC(C2)CC(C1)C3)C)/C(=O)NCCc1c[nH]c2c1cccc2
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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 C36H38N4O MW 542.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H38N4O/c1-23-13-29(17-30(21-37)35(41)38-12-11-28-22-39-34-6-4-3-5-33(28)34)24(2)40(23)32-9-7-31(8-10-32)36-18-25-14-26(19-36)16-27(15-25)20-36/h3-10,13,17,22,25-27,39H,11-12,14-16,18-20H2,1-2H3,(H,38,41)/b30-17+InChIKey
FBXQLVCMUOTAAX-OCSSWDANSA-NSynonyms
(2E)2cyano3(25dimethyl1(4(tricyclo(3311~37~)dec1yl)phenyl)1Hpyrrol3yl)N(2(1Hindol3yl)ethyl)prop2enamide
(2E)3(1(4ADAMANTANYLPHENYL)25DIMETHYLPYRROL3YL)2CYANON(2INDOL3YLETHYL)PROP2ENAMIDE
(E)3(1(4(1ADAMANTYL)PHENYL)25DIMETHYLPYRROL3YL)2CYANON(2(1HINDOL3YL)ETHYL)PROP2ENAMIDE
CC1=CC(=C(N1C2=CC=C(C=C2)C34CC5CC(C3)CC(C5)C4)C)C=C(C#N)C(=O)NCCC6=CNC7=CC=CC=C76
InChI=1SC36H38N4Oc1231329(1730(2137)35(41)38121128223934643533(28)34)24(2)40(23)329731(81032)3618251426(1936)1627(1525)2036h310131722252739H111214161820H212H3(H3841)b3017+
MFCD02602871
N#CC(=Cc1cc(n(c1C)c1ccc(cc1)C12CC3CC(C2)CC(C1)C3)C)C(=O)NCCc1c(nH)c2c1cccc2
ZINC000004083529
ZINC4083529
Check stock
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Check stock on Vitas-MAvailable files
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