Vitas-M small molecule compound

methyl {2-[N'-(2,3-dihydro-1,4-benzodioxin-6-yl)carbamimidamido]-6-oxo-1,6-dihydropyrimidin-4-yl}acetate

Catalog ID
STK167073
SMILES COC(=O)Cc1cc(=O)[nH]c(n1)NC(=N)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 C16H17N5O5 MW 359.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H17N5O5/c1-24-14(23)8-10-7-13(22)20-16(19-10)21-15(17)18-9-2-3-11-12(6-9)26-5-4-25-11/h2-3,6-7H,4-5,8H2,1H3,(H4,17,18,19,20,21,22)
InChIKey
KEWBMJXRHOFATB-UHFFFAOYSA-N
Synonyms
669745-21-5
COC(=O)CC1=CC(=O)N=C(N1)N=C(N)NC2=CC3=C(C=C2)OCCO3
COC(=O)Cc1cc(=O)(nH)c(n1)NC(=N)Nc1ccc2c(c1)OCCO2
InChI=1SC16H17N5O5c12414(23)810713(22)2016(1910)2115(17)189231112(69)26542511h2367H458H21H3(H4171819202122)
METHYL(2((AMINO(23DIHYDRO14BENZODIOXIN6YLAMINO)METHYLIDENE)AMINO)6OXO36DIHYDROPYRIMIDIN4YL)ACETATE
METHYL(2(N(23DIHYDRO14BENZODIOXIN6YL)CARBAMIMIDAMIDO)6HYDROXYPYRIMIDIN4YL)ACETATE
METHYL(2(N(23DIHYDRO14BENZODIOXIN6YL)CARBAMIMIDAMIDO)6OXO16DIHYDROPYRIMIDIN4YL)ACETATE
METHYL2(2(((2H3HBENZO(34E)14DIOXIN6YLAMINO)IMINOMETHYL)AMINO)6OXOHYDROPYRIMIDIN4YL)ACETATE
METHYL2(2((AMINO(23DIHYDRO14BENZODIOXIN6YLAMINO)METHYLIDENE)AMINO)4OXO1HPYRIMIDIN6YL)ACETATE
METHYL2(2((E)(AMINO(23DIHYDRO14BENZODIOXIN6YLAMINO)METHYLIDENE)AMINO)4OXO1HPYRIMIDIN6YL)ACETATE
methyl2(2(3(23dihydrobenzo(b)(14)dioxin6yl)guanidino)6oxo16dihydropyrimidin4yl)acetate
MFCD04163452
ZINC8574776

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Available files

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