Vitas-M small molecule compound
6-nitro-3-{[4-(pyrimidin-2-yl)piperazin-1-yl]carbonyl}-2H-chromen-2-one
Catalog ID
STK464433
SMILES O=C(c1cc2cc(ccc2oc1=O)[N+](=O)[O-])N1CCN(CC1)c1ncccn1
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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 C18H15N5O5 MW 381.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H15N5O5/c24-16(21-6-8-22(9-7-21)18-19-4-1-5-20-18)14-11-12-10-13(23(26)27)2-3-15(12)28-17(14)25/h1-5,10-11H,6-9H2InChIKey
GDMVRUIKPYIXTN-UHFFFAOYSA-NSynonyms
6NITRO3((4(2PYRIMIDINYL)1PIPERAZINYL)CARBONYL)2HCHROMEN2ONE
6nitro3((4(pyrimidin2yl)piperazin1yl)carbonyl)2Hchromen2one
6NITRO3((4PYRIMIDIN2YLPIPERAZINYL)CARBONYL)CHROMEN2ONE
6NITRO3(4PYRIMIDIN2YLPIPERAZINE1CARBONYL)CHROMEN2ONE
C1CN(CCN1C2=NC=CC=N2)C(=O)C3=CC4=C(C=CC(=C4)(N+)(=O)(O))OC3=O
InChI=1SC18H15N5O5c2416(216822(9721)18194152018)1411121013(23(26)27)2315(12)2817(14)25h151011H69H2
MFCD06624846
O=C(c1cc2cc(ccc2oc1=O)(N+)(=O)(O))N1CCN(CC1)c1ncccn1
ZINC000001054591
ZINC01054591
ZINC1054591
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