Vitas-M small molecule compound
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(6-{[(4-methylphenyl)sulfanyl]methyl}-4-oxo-1,4-dihydropyrimidin-2-yl)guanidine
Catalog ID
STK134081
SMILES N=C(Nc1nc(=O)cc([nH]1)CSc1ccc(cc1)C)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 C21H21N5O3S MW 423.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N5O3S/c1-13-2-5-16(6-3-13)30-12-15-11-19(27)25-21(24-15)26-20(22)23-14-4-7-17-18(10-14)29-9-8-28-17/h2-7,10-11H,8-9,12H2,1H3,(H4,22,23,24,25,26,27)InChIKey
TWOGFEZVVKEUDZ-UHFFFAOYSA-NSynonyms
573941-40-91(23DIHYDRO14BENZODIOXIN6YL)2(6((4METHYLPHENYL)SULFANYLMETHYL)4OXO1HPYRIMIDIN2YL)GUANIDINE
1(23DIHYDRO14BENZODIOXIN6YL)3((2Z)4HYDROXY6(((4METHYLPHENYL)SULFANYL)METHYL)PYRIMIDIN2(1H)YLIDENE)GUANIDINE
1(23DIHYDRO14BENZODIOXIN6YL)3(6(((4METHYLPHENYL)SULFANYL)METHYL)4OXO14DIHYDROPYRIMIDIN2YL)GUANIDINE
1(23dihydrobenzo(b)(14)dioxin6yl)3(4oxo6((ptolylthio)methyl)14dihydropyrimidin2yl)guanidine
1(23DIHYDROBENZO(B)(14)DIOXIN6YL)3(6OXO4(PTOLYLTHIOMETHYL)16DIHYDROPYRIMIDIN2YL)GUANIDINE
CC1=CC=C(C=C1)SCC2=CC(=O)N=C(N2)N=C(N)NC3=CC4=C(C=C3)OCCO4
InChI=1SC21H21N5O3Sc1132516(6313)3012151119(27)2521(2415)2620(22)2314471718(1014)29982817h271011H8912H21H3(H4222324252627)
MFCD03941236
N=C(Nc1nc(=O)cc((nH)1)CSc1ccc(cc1)C)Nc1ccc2c(c1)OCCO2
ZINC17196373
Check stock
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Check stock on Vitas-MAvailable files
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