Vitas-M small molecule compound

N,N'-di(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methyl-5-nitropyrimidine-2,4-diamine

Catalog ID
STK785001
SMILES [O-][N+](=O)c1c(nc(nc1C)Nc1ccc2c(c1)OCCO2)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 C21H19N5O6 MW 437.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19N5O6/c1-12-19(26(27)28)20(23-13-2-4-15-17(10-13)31-8-6-29-15)25-21(22-12)24-14-3-5-16-18(11-14)32-9-7-30-16/h2-5,10-11H,6-9H2,1H3,(H2,22,23,24,25)
InChIKey
CMLJKBFMFOYXPV-UHFFFAOYSA-N
Synonyms

(O)(N+)(=O)c1c(nc(nc1C)Nc1ccc2c(c1)OCCO2)Nc1ccc2c(c1)OCCO2
2H3HBENZO(E)14DIOXAN6YL(4(2H3HBENZO(E)14DIOXAN6YLAMINO)6METHYL5NITROPYRIMIDIN2YL)AMINE
2N4NBIS(23DIHYDRO14BENZODIOXIN6YL)6METHYL5NITROPYRIMIDINE24DIAMINE
CC1=C(C(=NC(=N1)NC2=CC3=C(C=C2)OCCO3)NC4=CC5=C(C=C4)OCCO5)(N+)(=O)(O)
InChI=1SC21H19N5O6c11219(26(27)28)20(2313241517(1013)31862915)2521(2212)2414351618(1114)32973016h251011H69H21H3(H222232425)
MFCD07657558
NNdi(23dihydro14benzodioxin6yl)6methyl5nitropyrimidine24diamine
ZINC000012372249
ZINC12372249

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Available files

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