Vitas-M small molecule compound
propane-2,2-diylbis-2-methylbenzene-4,1-diyl bis(2,4-dinitrobenzoate)
Catalog ID
STK388958
SMILES Cc1cc(ccc1OC(=O)c1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])C(c1ccc(c(c1)C)OC(=O)c1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])(C)C
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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 C31H24N4O12 MW 644.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H24N4O12/c1-17-13-19(5-11-27(17)46-29(36)23-9-7-21(32(38)39)15-25(23)34(42)43)31(3,4)20-6-12-28(18(2)14-20)47-30(37)24-10-8-22(33(40)41)16-26(24)35(44)45/h5-16H,1-4H3InChIKey
CXBKRLXDJCVDTH-UHFFFAOYSA-NSynonyms
301209-60-9(4(2(4(24DINITROBENZOYL)OXY3METHYLPHENYL)PROPAN2YL)2METHYLPHENYL)24DINITROBENZOATE
301209609
CC1=C(C=CC(=C1)C(C)(C)C2=CC(=C(C=C2)OC(=O)C3=C(C=C(C=C3)(N+)(=O)(O))(N+)(=O)(O))C)OC(=O)C4=C(C=C(C=C4)(N+)(=O)(O))(N+)(=O)(O)
Cc1cc(ccc1OC(=O)c1ccc(cc1(N+)(=O)(O))(N+)(=O)(O))C(c1ccc(c(c1)C)OC(=O)c1ccc(cc1(N+)(=O)(O))(N+)(=O)(O))(C)C
InChI=1SC31H24N4O12c1171319(51127(17)4629(36)239721(32(38)39)1525(23)34(42)43)31(34)2061228(18(2)1420)4730(37)2410822(33(40)41)1626(24)35(44)45h516H14H3
MFCD00301815
propane22diylbis2methylbenzene41diylbis(24dinitrobenzoate)
ZINC000150410153
ZINC150410153
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.