Vitas-M small molecule compound
({2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}methylidene)propanedinitrile
Catalog ID
STK903672
SMILES N#CC(=Cc1c(nc2n(c1=O)cccc2C)N1CCN(CC1)Cc1ccc2c(c1)OCO2)C#N
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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 C25H22N6O3 MW 454.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22N6O3/c1-17-3-2-6-31-23(17)28-24(20(25(31)32)11-19(13-26)14-27)30-9-7-29(8-10-30)15-18-4-5-21-22(12-18)34-16-33-21/h2-6,11-12H,7-10,15-16H2,1H3InChIKey
UAOFCXADGLODHZ-UHFFFAOYSA-NSynonyms
797800-01-2((2(4(13benzodioxol5ylmethyl)piperazin1yl)9methyl4oxo4Hpyrido(12a)pyrimidin3yl)methylidene)propanedinitrile
2((2(4(13BENZODIOXOL5YLMETHYL)PIPERAZIN1YL)9METHYL4OXOPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)PROPANEDINITRILE
2((2(4(benzo(d)(13)dioxol5ylmethyl)piperazin1yl)9methyl4oxo4Hpyrido(12a)pyrimidin3yl)methylene)malononitrile
797800012
CC1=CC=CN2C1=NC(=C(C2=O)C=C(C#N)C#N)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5
InChI=1SC25H22N6O3c1173263123(17)2824(20(25(31)32)1119(1326)1427)309729(81030)1518452122(1218)34163321h261112H7101516H21H3
MFCD03668806
ZINC000020150232
ZINC20150232
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