Vitas-M small molecule compound
(5Z)-1-ethyl-4-methyl-2,6-dioxo-5-({1-phenyl-3-[4-(propan-2-yloxy)phenyl]-1H-pyrazol-4-yl}methylidene)-1,2,5,6-tetrahydropyridine-3-carbonitrile
Catalog ID
STK514839
SMILES CCN1C(=O)/C(=C\c2cn(nc2c2ccc(cc2)OC(C)C)c2ccccc2)/C(=C(C1=O)C#N)C
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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 C28H26N4O3 MW 466.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H26N4O3/c1-5-31-27(33)24(19(4)25(16-29)28(31)34)15-21-17-32(22-9-7-6-8-10-22)30-26(21)20-11-13-23(14-12-20)35-18(2)3/h6-15,17-18H,5H2,1-4H3/b24-15-InChIKey
NHSYLQHVQDDMHH-IWIPYMOSSA-NSynonyms
(5Z)1ethyl4methyl26dioxo5((1phenyl3(4(propan2yloxy)phenyl)1Hpyrazol4yl)methylidene)1256tetrahydropyridine3carbonitrile
(5Z)1ethyl4methyl26dioxo5((1phenyl3(4propan2yloxyphenyl)pyrazol4yl)methylidene)pyridine3carbonitrile
CCN1C(=O)C(=CC2=CN(N=C2C3=CC=C(C=C3)OC(C)C)C4=CC=CC=C4)C(=C(C1=O)C#N)C
CCN1C(=O)C(=Cc2cn(nc2c2ccc(cc2)OC(C)C)c2ccccc2)C(=C(C1=O)C#N)C
InChI=1SC28H26N4O3c153127(33)24(19(4)25(1629)28(31)34)15211732(2297681022)3026(21)20111323(141220)3518(2)3h6151718H5H214H3b2415
MFCD06645002
ZINC000016741516
ZINC16741516
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