Vitas-M small molecule compound

4-(azepan-1-yl)-6-{(2Z)-2-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]hydrazinyl}-N-(4-nitrophenyl)-1,3,5-triazin-2-amine

Catalog ID
STK752740
SMILES [O-][N+](=O)c1cc2OCOc2cc1/C=N\Nc1nc(Nc2ccc(cc2)[N+](=O)[O-])nc(n1)N1CCCCCC1

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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 C23H23N9O6 MW 521.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H23N9O6/c33-31(34)17-7-5-16(6-8-17)25-21-26-22(28-23(27-21)30-9-3-1-2-4-10-30)29-24-13-15-11-19-20(38-14-37-19)12-18(15)32(35)36/h5-8,11-13H,1-4,9-10,14H2,(H2,25,26,27,28,29)/b24-13-
InChIKey
ZSRVQCVDWWNBOJ-CFRMEGHHSA-N
Synonyms

(O)(N+)(=O)c1cc2OCOc2cc1C=NNc1nc(Nc2ccc(cc2)(N+)(=O)(O))nc(n1)N1CCCCCC1
4(azepan1yl)6((2Z)2((6nitro13benzodioxol5yl)methylidene)hydrazinyl)N(4nitrophenyl)135triazin2amine
6(AZEPAN1YL)2N((Z)(6NITRO13BENZODIOXOL5YL)METHYLIDENEAMINO)4N(4NITROPHENYL)135TRIAZINE24DIAMINE
C1CCCN(CC1)C2=NC(=NC(=N2)NN=CC3=CC4=C(C=C3(N+)(=O)(O))OCO4)NC5=CC=C(C=C5)(N+)(=O)(O)
InChI=1SC23H23N9O6c3331(34)177516(6817)25212622(2823(2721)30931241030)29241315111920(38143719)1218(15)32(35)36h581113H1491014H2(H22526272829)b2413
MFCD00821456
ZINC000008872904
ZINC102870227

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Available files

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