Vitas-M small molecule compound

1-(5-benzyl-4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)guanidine

Catalog ID
STK356576
SMILES N=C(Nc1nc(C)c(c(=O)[nH]1)Cc1ccccc1)Nc1ccc2c(c1)OCCO2

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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 C21H21N5O3 MW 391.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N5O3/c1-13-16(11-14-5-3-2-4-6-14)19(27)25-21(23-13)26-20(22)24-15-7-8-17-18(12-15)29-10-9-28-17/h2-8,12H,9-11H2,1H3,(H4,22,23,24,25,26,27)
InChIKey
CNFATLBVCCIBIH-UHFFFAOYSA-N
Synonyms

1(5benzyl4methyl6oxo16dihydropyrimidin2yl)3(23dihydro14benzodioxin6yl)guanidine
2(((2H3HBENZO(34E)14DIOXIN6YLAMINO)IMINOMETHYL)AMINO)6METHYL5BENZYL3HYDROPYRIMIDIN4ONE
2(5benzyl6methyl4oxo1Hpyrimidin2yl)1(23dihydro14benzodioxin6yl)guanidine
CC1=C(C(=O)N=C(N1)N=C(N)NC2=CC3=C(C=C2)OCCO3)CC4=CC=CC=C4
InChI=1SC21H21N5O3c11316(11145324614)19(27)2521(2313)2620(22)2415781718(1215)291092817h2812H911H21H3(H4222324252627)
MFCD08723457
N=C(Nc1nc(C)c(c(=O)(nH)1)Cc1ccccc1)Nc1ccc2c(c1)OCCO2
ZINC000009938523
ZINC9938523

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Available files

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