Vitas-M small molecule compound

N,N'-bis[4-(2-methylpropoxy)benzyl]-5-nitropyrimidine-4,6-diamine

Catalog ID
STL001285
SMILES CC(COc1ccc(cc1)CNc1ncnc(c1[N+](=O)[O-])NCc1ccc(cc1)OCC(C)C)C

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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 C26H33N5O4 MW 479.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H33N5O4/c1-18(2)15-34-22-9-5-20(6-10-22)13-27-25-24(31(32)33)26(30-17-29-25)28-14-21-7-11-23(12-8-21)35-16-19(3)4/h5-12,17-19H,13-16H2,1-4H3,(H2,27,28,29,30)
InChIKey
WYNOVVSCBWUZFK-UHFFFAOYSA-N
Synonyms
325957-70-8
325957708
4N6NBIS((4(2METHYLPROPOXY)PHENYL)METHYL)5NITROPYRIMIDINE46DIAMINE
CC(C)COC1=CC=C(C=C1)CNC2=C(C(=NC=N2)NCC3=CC=C(C=C3)OCC(C)C)(N+)(=O)(O)
CC(COc1ccc(cc1)CNc1ncnc(c1(N+)(=O)(O))NCc1ccc(cc1)OCC(C)C)C
InChI=1SC26H33N5O4c118(2)1534229520(61022)13272524(31(32)33)26(30172925)28142171123(12821)351619(3)4h5121719H1316H214H3(H227282930)
MFCD03667491
N4N6BIS(4ISOBUTOXYBENZYL)5NITROPYRIMIDINE46DIAMINE
NNbis(4(2methylpropoxy)benzyl)5nitropyrimidine46diamine
ZINC000008767742
ZINC08767742
ZINC8767742

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Available files

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