Vitas-M small molecule compound

9a-{(E)-2-[3-(4-ethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]ethenyl}-7,9,9-trimethyl-9,9a-dihydro-1H-imidazo[1,2-a]indol-2(3H)-one

Catalog ID
STK589778
SMILES CCOc1ccc(cc1)c1nn(cc1/C=C/C12NC(=O)CN1c1c(C2(C)C)cc(cc1)C)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 C32H32N4O2 MW 504.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H32N4O2/c1-5-38-26-14-12-23(13-15-26)30-24(20-36(34-30)25-9-7-6-8-10-25)17-18-32-31(3,4)27-19-22(2)11-16-28(27)35(32)21-29(37)33-32/h6-20H,5,21H2,1-4H3,(H,33,37)/b18-17+
InChIKey
IQQXAUKHRZFQSR-ISLYRVAYSA-N
Synonyms
1010865-02-7
(E)9a(2(3(4ethoxyphenyl)1phenyl1Hpyrazol4yl)vinyl)799trimethyl99adihydro1Himidazo(12a)indol2(3H)one
1010865027
3A((E)2(3(4ETHOXYPHENYL)1PHENYLPYRAZOL4YL)ETHENYL)446TRIMETHYL13DIHYDROIMIDAZO(12A)INDOL2ONE
9a((E)2(3(4ethoxyphenyl)1phenyl1Hpyrazol4yl)ethenyl)799trimethyl99adihydro1Himidazo(12a)indol2(3H)one
CCOC1=CC=C(C=C1)C2=NN(C=C2C=CC34C(C5=C(N3CC(=O)N4)C=CC(=C5)C)(C)C)C6=CC=CC=C6
CCOc1ccc(cc1)c1nn(cc1C=CC12NC(=O)CN1c1c(C2(C)C)cc(cc1)C)c1ccccc1
InChI=1SC32H32N4O2c153826141223(131526)3024(2036(3430)2597681025)17183231(34)271922(2)111628(27)35(32)2129(37)3332h620H521H214H3(H3337)b1817+
MFCD06598225
ZINC000002213622
ZINC000009266810

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.