Vitas-M small molecule compound

N',N''-1,4,4a,8a-tetrahydro-1,4-methanonaphthalene-5,8-diylidenebis(4-nitrobenzohydrazide)

Catalog ID
STL387778
SMILES O=C(c1ccc(cc1)[N+](=O)[O-])N/N=C/1\C=C/C(=N\NC(=O)c2ccc(cc2)[N+](=O)[O-])/C2C1C1C=CC2C1

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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 C25H20N6O6 MW 500.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H20N6O6/c32-24(14-3-7-18(8-4-14)30(34)35)28-26-20-11-12-21(23-17-2-1-16(13-17)22(20)23)27-29-25(33)15-5-9-19(10-6-15)31(36)37/h1-12,16-17,22-23H,13H2,(H,28,32)(H,29,33)/b26-20+,27-21+
InChIKey
WWCCEFCAVJYMGZ-CRYYDKFDSA-N
Synonyms

C1C2C=CC1C3C2C(=NNC(=O)C4=CC=C(C=C4)(N+)(=O)(O))C=CC3=NNC(=O)C5=CC=C(C=C5)(N+)(=O)(O)
InChI=1SC25H20N6O6c3224(143718(8414)30(34)35)282620111221(23172116(1317)22(20)23)272925(33)155919(10615)31(36)37h11216172223H13H2(H2832)(H2933)b2620+2721+
MFCD00313974
NN144a8atetrahydro14methanonaphthalene58diylidenebis(4nitrobenzohydrazide)
O=C(c1ccc(cc1)(N+)(=O)(O))NN=C1C=CC(=NNC(=O)c2ccc(cc2)(N+)(=O)(O))C2C1C1C=CC2C1
ZINC000102412103
ZINC000226631152

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Available files

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