Vitas-M small molecule compound
3-[(1,3-benzodioxol-5-ylmethyl)amino]-6-[4-(propan-2-yl)benzyl]-1,2,4-triazin-5(4H)-one
Catalog ID
STK973011
SMILES CC(c1ccc(cc1)Cc1nnc([nH]c1=O)NCc1ccc2c(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 C21H22N4O3 MW 378.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N4O3/c1-13(2)16-6-3-14(4-7-16)9-17-20(26)23-21(25-24-17)22-11-15-5-8-18-19(10-15)28-12-27-18/h3-8,10,13H,9,11-12H2,1-2H3,(H2,22,23,25,26)InChIKey
HZDCIPFAUBTSIZ-UHFFFAOYSA-NSynonyms
881435-77-43((13benzodioxol5ylmethyl)amino)6(4(propan2yl)benzyl)124triazin5(4H)one
3((2HBENZO(34D)13DIOXOLEN5YLMETHYL)AMINO)6((4(METHYLETHYL)PHENYL)METHYL)124TRIAZIN5OL
3((BENZO(D)(13)DIOXOL5YLMETHYL)AMINO)6(4ISOPROPYLBENZYL)124TRIAZIN5(4H)ONE
3(13BENZODIOXOL5YLMETHYLAMINO)6((4PROPAN2YLPHENYL)METHYL)2H124TRIAZIN5ONE
881435774
CC(C)C1=CC=C(C=C1)CC2=NNC(=NC2=O)NCC3=CC4=C(C=C3)OCO4
CC(c1ccc(cc1)Cc1nnc((nH)c1=O)NCc1ccc2c(c1)OCO2)C
InChI=1SC21H22N4O3c113(2)166314(4716)91720(26)2321(252417)221115581819(1015)28122718h381013H91112H212H3(H222232526)
MFCD07196798
ZINC000016806905
ZINC16806905
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