Vitas-M small molecule compound

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

Catalog ID
STK871198
SMILES O=C1CC(/C=C/c2ccccc2)Cc2c1cnc(n2)N1CCN(CC1)Cc1ccc2c(c1)OCO2

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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 C28H28N4O3 MW 468.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H28N4O3/c33-25-15-21(7-6-20-4-2-1-3-5-20)14-24-23(25)17-29-28(30-24)32-12-10-31(11-13-32)18-22-8-9-26-27(16-22)35-19-34-26/h1-9,16-17,21H,10-15,18-19H2/b7-6+
InChIKey
KYUWBRSMEJRCPI-VOTSOKGWSA-N
Synonyms
880074-16-8
(E)2(4(benzo(d)(13)dioxol5ylmethyl)piperazin1yl)7styryl78dihydroquinazolin5(6H)one
2(4(13BENZODIOXOL5YLMETHYL)PIPERAZIN1YL)7((E)2PHENYLETHENYL)78DIHYDRO6HQUINAZOLIN5ONE
2(4(13benzodioxol5ylmethyl)piperazin1yl)7((E)2phenylethenyl)78dihydroquinazolin5(6H)one
7((1E)2PHENYLVINYL)2(4(2HBENZO(34D)13DIOXOLAN5YLMETHYL)PIPERAZINYL)678TRIHYDROQUINAZOLIN5ONE
880074168
C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=NC=C5C(=N4)CC(CC5=O)C=CC6=CC=CC=C6
InChI=1SC28H28N4O3c33251521(76204213520)142423(25)172928(3024)32121031(111332)1822892627(1622)35193426h19161721H10151819H2b76+
MFCD07185782
O=C1CC(C=Cc2ccccc2)Cc2c1cnc(n2)N1CCN(CC1)Cc1ccc2c(c1)OCO2
ZINC000020622799
ZINC000020622802

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Available files

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