Vitas-M small molecule compound

N,N'-{ethane-1,2-diylbis[oxy(5-chlorobenzene-2,1-diyl)]}bis(2,4-dinitroaniline)

Catalog ID
STK368485
SMILES Clc1ccc(c(c1)Nc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])OCCOc1ccc(cc1Nc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])Cl

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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 C26H18Cl2N6O10 MW 645.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H18Cl2N6O10/c27-15-1-7-25(21(11-15)29-19-5-3-17(31(35)36)13-23(19)33(39)40)43-9-10-44-26-8-2-16(28)12-22(26)30-20-6-4-18(32(37)38)14-24(20)34(41)42/h1-8,11-14,29-30H,9-10H2
InChIKey
HLVLSVYCOXHWRH-UHFFFAOYSA-N
Synonyms

C1=CC(=C(C=C1(N+)(=O)(O))(N+)(=O)(O))NC2=C(C=CC(=C2)Cl)OCCOC3=C(C=C(C=C3)Cl)NC4=C(C=C(C=C4)(N+)(=O)(O))(N+)(=O)(O)
Clc1ccc(c(c1)Nc1ccc(cc1(N+)(=O)(O))(N+)(=O)(O))OCCOc1ccc(cc1Nc1ccc(cc1(N+)(=O)(O))(N+)(=O)(O))Cl
InChI=1SC26H18Cl2N6O10c27151725(21(1115)29195317(31(35)36)1323(19)33(39)40)4391044268216(28)1222(26)30206418(32(37)38)1424(20)34(41)42h1811142930H910H2
MFCD00309914
N(5CHLORO2(2(4CHLORO2(24DINITROANILINO)PHENOXY)ETHOXY)PHENYL)24DINITROANILINE
NN(ethane12diylbis(oxy(5chlorobenzene21diyl)))bis(24dinitroaniline)
ZINC000150391173
ZINC150391173

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.