Vitas-M small molecule compound

2-({4-amino-6-[(2-methoxyphenyl)amino]-5-nitropyrimidin-2-yl}amino)ethanol

Catalog ID
STK558246
SMILES OCCNc1nc(Nc2ccccc2OC)c(c(n1)N)[N+](=O)[O-]

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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 C13H16N6O4 MW 320.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H16N6O4/c1-23-9-5-3-2-4-8(9)16-12-10(19(21)22)11(14)17-13(18-12)15-6-7-20/h2-5,20H,6-7H2,1H3,(H4,14,15,16,17,18)
InChIKey
FWHDLLWTESTDBL-UHFFFAOYSA-N
Synonyms
586983-53-1
2((4AMINO5NITRO6(OANISIDINO)PYRIMIDIN2YL)AMINO)ETHANOL
2((4AMINO6((2METHOXYPHENYL)AMINO)5NITROPYRIMIDIN2YL)AMINO)ETHAN1OL
2((4amino6((2methoxyphenyl)amino)5nitropyrimidin2yl)amino)ethanol
2((4AMINO6(2METHOXYANILINO)5NITRO2PYRIMIDINYL)AMINO)ETHANOL
2((4AMINO6(2METHOXYANILINO)5NITROPYRIMIDIN2YL)AMINO)ETHANOL
2((4AZANYL6((2METHOXYPHENYL)AMINO)5NITROPYRIMIDIN2YL)AMINO)ETHANOL
2(4AMINO6(2METHOXYPHENYLAMINO)5NITROPYRIMIDIN2YLAMINO)ETHANOL
586983531
COC1=CC=CC=C1NC2=NC(=NC(=C2(N+)(=O)(O))N)NCCO
InChI=1SC13H16N6O4c123953248(9)161210(19(21)22)11(14)1713(1812)156720h2520H67H21H3(H41415161718)
MFCD04030955
OCCNc1nc(Nc2ccccc2OC)c(c(n1)N)(N+)(=O)(O)
ZINC000005111631
ZINC05111631
ZINC5111631

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.