Vitas-M small molecule compound

3,3'-[benzene-1,4-diylbis(oxy)]bis{1-[4-(4-nitrophenyl)piperazin-1-yl]propan-2-ol}

Catalog ID
STK672907
SMILES OC(CN1CCN(CC1)c1ccc(cc1)[N+](=O)[O-])COc1ccc(cc1)OCC(CN1CCN(CC1)c1ccc(cc1)[N+](=O)[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 C32H40N6O8 MW 636.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H40N6O8/c39-29(21-33-13-17-35(18-14-33)25-1-5-27(6-2-25)37(41)42)23-45-31-9-11-32(12-10-31)46-24-30(40)22-34-15-19-36(20-16-34)26-3-7-28(8-4-26)38(43)44/h1-12,29-30,39-40H,13-24H2
InChIKey
FLCJOSDYUGNSBJ-UHFFFAOYSA-N
Synonyms

1(4(2HYDROXY3(4(4NITROPHENYL)PIPERAZIN1YL)PROPOXY)PHENOXY)3(4(4NITROPHENYL)PIPERAZIN1YL)PROPAN2OL
33(benzene14diylbis(oxy))bis(1(4(4nitrophenyl)piperazin1yl)propan2ol)
C1CN(CCN1CC(COC2=CC=C(C=C2)OCC(CN3CCN(CC3)C4=CC=C(C=C4)(N+)(=O)(O))O)O)C5=CC=C(C=C5)(N+)(=O)(O)
InChI=1SC32H40N6O8c3929(2133131735(181433)251527(6225)37(41)42)23453191132(121031)462430(40)2234151936(201634)263728(8426)38(43)44h11229303940H1324H2
MFCD00826791
OC(CN1CCN(CC1)c1ccc(cc1)(N+)(=O)(O))COc1ccc(cc1)OCC(CN1CCN(CC1)c1ccc(cc1)(N+)(=O)(O))O
ZINC000006444865
ZINC000035999812

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Available files

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