Vitas-M small molecule compound

2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-methyl-7-[4-(propan-2-yl)phenyl]-7,8-dihydroquinazolin-5(6H)-one

Catalog ID
STK210971
SMILES CC(c1ccc(cc1)C1CC(=O)c2c(C1)nc(nc2C)N1CCN(CC1)Cc1ccc2c(c1)OCO2)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 C30H34N4O3 MW 498.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H34N4O3/c1-19(2)22-5-7-23(8-6-22)24-15-25-29(26(35)16-24)20(3)31-30(32-25)34-12-10-33(11-13-34)17-21-4-9-27-28(14-21)37-18-36-27/h4-9,14,19,24H,10-13,15-18H2,1-3H3
InChIKey
MLKCIADLMODJOS-UHFFFAOYSA-N
Synonyms
777866-69-0
2(4(13benzodioxol5ylmethyl)piperazin1yl)4methyl7(4(propan2yl)phenyl)78dihydroquinazolin5(6H)one
2(4(13BENZODIOXOL5YLMETHYL)PIPERAZIN1YL)4METHYL7(4PROPAN2YLPHENYL)78DIHYDRO6HQUINAZOLIN5ONE
2(4(2HBENZO(34D)13DIOXOLAN5YLMETHYL)PIPERAZINYL)4METHYL7(4(METHYLETHYL)PHENYL)678TRIHYDROQUINAZOLIN5ONE
2(4(BENZO(D)(13)DIOXOL5YLMETHYL)PIPERAZIN1YL)7(4ISOPROPYLPHENYL)4METHYL78DIHYDROQUINAZOLIN5(6H)ONE
777866690
CC1=NC(=NC2=C1C(=O)CC(C2)C3=CC=C(C=C3)C(C)C)N4CCN(CC4)CC5=CC6=C(C=C5)OCO6
InChI=1SC30H34N4O3c119(2)225723(8622)24152529(26(35)1624)20(3)3130(3225)34121033(111334)1721492728(1421)37183627h49141924H10131518H213H3
MFCD06610985
ZINC000020343686
ZINC000020343689

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Available files

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