Vitas-M small molecule compound

N-[4-amino-6-(azepan-1-yl)-5-nitropyrimidin-2-yl]glycine

Catalog ID
STK889407
SMILES OC(=O)CNc1nc(N2CCCCCC2)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 C12H18N6O4 MW 310.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H18N6O4/c13-10-9(18(21)22)11(17-5-3-1-2-4-6-17)16-12(15-10)14-7-8(19)20/h1-7H2,(H,19,20)(H3,13,14,15,16)
InChIKey
PHSZHZSCLXMSJC-UHFFFAOYSA-N
Synonyms
713127-17-4
2((4AMINO6(AZEPAN1YL)5NITROPYRIMIDIN2YL)AMINO)ACETICACID
2((4AMINO6AZAPERHYDROEPINYL5NITROPYRIMIDIN2YL)AMINO)ACETICACID
713127174
C1CCCN(CC1)C2=C(C(=NC(=N2)NCC(=O)O)N)(N+)(=O)(O)
InChI=1SC12H18N6O4c13109(18(21)22)11(1753124617)1612(1510)1478(19)20h17H2(H1920)(H313141516)
MFCD04169371
N(4amino6(azepan1yl)5nitropyrimidin2yl)glycine
OC(=O)CNc1nc(N2CCCCCC2)c(c(n1)N)(N+)(=O)(O)
ZINC000004305946
ZINC4305946

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Available files

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