Vitas-M small molecule compound

3-[2-(cyclohex-1-en-1-yl)ethyl]-5,8-dimethyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one

Catalog ID
STK585800
SMILES Cc1ccc2c(c1)c1ncn(c(=O)c1n2C)CCC1=CCCCC1

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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 C20H23N3O MW 321.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H23N3O/c1-14-8-9-17-16(12-14)18-19(22(17)2)20(24)23(13-21-18)11-10-15-6-4-3-5-7-15/h6,8-9,12-13H,3-5,7,10-11H2,1-2H3
InChIKey
MMNNGDAQHWQLNC-UHFFFAOYSA-N
Synonyms
899382-68-4
3(2(cyclohex1en1yl)ethyl)58dimethyl35dihydro4Hpyrimido(54b)indol4one
3(2(cyclohex1en1yl)ethyl)58dimethyl3Hpyrimido(54b)indol4(5H)one
3(2(CYCLOHEXEN1YL)ETHYL)58DIMETHYLPYRIMIDO(54B)INDOL4ONE
CC1=CC2=C(C=C1)N(C3=C2N=CN(C3=O)CCC4=CCCCC4)C
Registry IDs
MFCD06608021
ZINC000002338511
ZINC02338511
ZINC2338511

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Available files

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