Vitas-M small molecule compound

2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-butyl-6-methylpyrimidin-4(3H)-one

Catalog ID
STK235335
SMILES CCCCc1c(C)nc([nH]c1=O)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 C21H28N4O3 MW 384.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H28N4O3/c1-3-4-5-17-15(2)22-21(23-20(17)26)25-10-8-24(9-11-25)13-16-6-7-18-19(12-16)28-14-27-18/h6-7,12H,3-5,8-11,13-14H2,1-2H3,(H,22,23,26)
InChIKey
UUYIFKMQFXJHNN-UHFFFAOYSA-N
Synonyms
878993-46-5
2(4(13BENZODIOXOL5YLMETHYL)PIPERAZIN1YL)5BUTYL6METHYL1HPYRIMIDIN4ONE
2(4(13benzodioxol5ylmethyl)piperazin1yl)5butyl6methylpyrimidin4(3H)one
2(4(2HBENZO(34D)13DIOXOLAN5YLMETHYL)PIPERAZINYL)5BUTYL6METHYL3HYDROPYRIMIDIN4ONE
2(4(benzo(d)(13)dioxol5ylmethyl)piperazin1yl)5butyl6methylpyrimidin4(3H)one
878993465
CCCCC1=C(NC(=NC1=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)C
CCCCc1c(C)nc((nH)c1=O)N1CCN(CC1)Cc1ccc2c(c1)OCO2
InChI=1SC21H28N4O3c13451715(2)2221(2320(17)26)2510824(91125)1316671819(1216)28142718h6712H358111314H212H3(H222326)
MFCD07181247
ZINC5210404

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Available files

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