Vitas-M small molecule compound

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

Catalog ID
STK217555
SMILES O=C1CC(Cc2c1c(C)nc(n2)N1CCN(CC1)Cc1ccc2c(c1)OCO2)c1cccs1

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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 C25H26N4O3S MW 462.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H26N4O3S/c1-16-24-19(12-18(13-20(24)30)23-3-2-10-33-23)27-25(26-16)29-8-6-28(7-9-29)14-17-4-5-21-22(11-17)32-15-31-21/h2-5,10-11,18H,6-9,12-15H2,1H3
InChIKey
IWVSKRTUBMHEDQ-UHFFFAOYSA-N
Synonyms
775289-68-4
2(4(13benzodioxol5ylmethyl)piperazin1yl)4methyl7(thiophen2yl)78dihydroquinazolin5(6H)one
2(4(13BENZODIOXOL5YLMETHYL)PIPERAZIN1YL)4METHYL7THIOPHEN2YL78DIHYDRO6HQUINAZOLIN5ONE
2(4(2HBENZO(34D)13DIOXOLAN5YLMETHYL)PIPERAZINYL)4METHYL7(2THIENYL)678TRIHYDROQUINAZOLIN5ONE
2(4(BENZO(D)(13)DIOXOL5YLMETHYL)PIPERAZIN1YL)4METHYL7(THIOPHEN2YL)78DIHYDROQUINAZOLIN5(6H)ONE
775289684
CC1=NC(=NC2=C1C(=O)CC(C2)C3=CC=CS3)N4CCN(CC4)CC5=CC6=C(C=C5)OCO6
InChI=1SC25H26N4O3Sc1162419(1218(1320(24)30)2332103323)2725(2616)298628(7929)1417452122(1117)32153121h25101118H691215H21H3
MFCD06591826
ZINC000019913652
ZINC000019913656

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Available files

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