Vitas-M small molecule compound
4,4'-{benzene-1,4-diylbis[(E)methylylidene(2E)hydrazin-1-yl-2-ylidene]}bis[N-(4-nitrophenyl)-6-(pyrrolidin-1-yl)-1,3,5-triazin-2-amine]
Catalog ID
STK668739
SMILES [O-][N+](=O)c1ccc(cc1)Nc1nc(N/N=C/c2ccc(cc2)/C=N/Nc2nc(Nc3ccc(cc3)[N+](=O)[O-])nc(n2)N2CCCC2)nc(n1)N1CCCC1
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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 C34H34N16O4 MW 730.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H34N16O4/c51-49(52)27-13-9-25(10-14-27)37-29-39-31(43-33(41-29)47-17-1-2-18-47)45-35-21-23-5-7-24(8-6-23)22-36-46-32-40-30(42-34(44-32)48-19-3-4-20-48)38-26-11-15-28(16-12-26)50(53)54/h5-16,21-22H,1-4,17-20H2,(H2,37,39,41,43,45)(H2,38,40,42,44InChIKey
QIILWNRUGJDQNT-JTOYJDTJSA-NSynonyms
(O)(N+)(=O)c1ccc(cc1)Nc1nc(NN=Cc2ccc(cc2)C=NNc2nc(Nc3ccc(cc3)(N+)(=O)(O))nc(n2)N2CCCC2)nc(n1)N1CCCC1
44(BENZENE14DIYLBIS((E)METHYLYLIDENE(2E)HYDRAZIN1YL2YLIDENE))BIS(N(4NITROPHENYL)6(PYRROLIDIN1YL)135TRIAZIN2AMINE)
C1CCN(C1)C2=NC(=NC(=N2)NN=CC3=CC=C(C=C3)C=NNC4=NC(=NC(=N4)NC5=CC=C(C=C5)(N+)(=O)(O))N6CCCC6)NC7=CC=C(C=C7)(N+)(=O)(O)
InChI=1SC34H34N16O4c5149(52)2713925(101427)37293931(4333(4129)4717121847)453521235724(8623)223646324030(4234(4432)4819342048)3826111528(161226)50(53)54h5162122H141720H2(H23739414345)(H23840424446)b3521+3622+
MFCD00302386
ZINC000008872693
ZINC150547450
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.