Vitas-M small molecule compound
(2E)-3-{3-[3-methyl-4-(propan-2-yloxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}-2-(morpholin-4-ylcarbonyl)prop-2-enenitrile
Catalog ID
STK702963
SMILES N#C/C(=C\c1cn(nc1c1ccc(c(c1)C)OC(C)C)c1ccccc1)/C(=O)N1CCOCC1
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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 C27H28N4O3 MW 456.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28N4O3/c1-19(2)34-25-10-9-21(15-20(25)3)26-23(18-31(29-26)24-7-5-4-6-8-24)16-22(17-28)27(32)30-11-13-33-14-12-30/h4-10,15-16,18-19H,11-14H2,1-3H3/b22-16+InChIKey
KPZBHJJQRKBUPR-CJLVFECKSA-NSynonyms
(2E)3(3(3methyl4(propan2yloxy)phenyl)1phenyl1Hpyrazol4yl)2(morpholin4ylcarbonyl)prop2enenitrile
(E)3(3(3METHYL4PROPAN2YLOXYPHENYL)1PHENYLPYRAZOL4YL)2(MORPHOLINE4CARBONYL)PROP2ENENITRILE
(E)3(3(4isopropoxy3methylphenyl)1phenyl1Hpyrazol4yl)2(morpholine4carbonyl)acrylonitrile
CC1=C(C=CC(=C1)C2=NN(C=C2C=C(C#N)C(=O)N3CCOCC3)C4=CC=CC=C4)OC(C)C
InChI=1SC27H28N4O3c119(2)342510921(1520(25)3)2623(1831(2926)247546824)1622(1728)27(32)30111333141230h41015161819H1114H213H3b2216+
MFCD02998475
N#CC(=Cc1cn(nc1c1ccc(c(c1)C)OC(C)C)c1ccccc1)C(=O)N1CCOCC1
ZINC000001247382
ZINC01247382
ZINC1247382
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