Vitas-M small molecule compound
(2E)-2-cyano-3-[3-(4-ethoxy-3-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]-N-[2-(morpholin-4-yl)ethyl]prop-2-enamide
Catalog ID
STK823142
SMILES CCOc1ccc(cc1C)c1nn(cc1/C=C(/C(=O)NCCN1CCOCC1)\C#N)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 C28H31N5O3 MW 485.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H31N5O3/c1-3-36-26-10-9-22(17-21(26)2)27-24(20-33(31-27)25-7-5-4-6-8-25)18-23(19-29)28(34)30-11-12-32-13-15-35-16-14-32/h4-10,17-18,20H,3,11-16H2,1-2H3,(H,30,34)/b23-18+InChIKey
LOIUTCOQUZRDFJ-PTGBLXJZSA-NSynonyms
(2E)2cyano3(3(4ethoxy3methylphenyl)1phenyl1Hpyrazol4yl)N(2(morpholin4yl)ethyl)prop2enamide
(E)2cyano3(3(4ethoxy3methylphenyl)1phenylpyrazol4yl)N(2morpholin4ylethyl)prop2enamide
CCOC1=C(C=C(C=C1)C2=NN(C=C2C=C(C#N)C(=O)NCCN3CCOCC3)C4=CC=CC=C4)C
CCOc1ccc(cc1C)c1nn(cc1C=C(C(=O)NCCN1CCOCC1)C#N)c1ccccc1
InChI=1SC28H31N5O3c13362610922(1721(26)2)2724(2033(3127)257546825)1823(1929)28(34)30111232131535161432h410171820H31116H212H3(H3034)b2318+
MFCD03463684
ZINC000027018623
ZINC27018623
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