Vitas-M small molecule compound
4'-heptyl-3,3'-dinitrobiphenyl-4-carbonitrile
Catalog ID
STK043692
SMILES CCCCCCCc1ccc(cc1[N+](=O)[O-])c1ccc(c(c1)[N+](=O)[O-])C#N
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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 C20H21N3O4 MW 367.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21N3O4/c1-2-3-4-5-6-7-15-8-9-16(12-19(15)22(24)25)17-10-11-18(14-21)20(13-17)23(26)27/h8-13H,2-7H2,1H3InChIKey
DDOWMPPECUXOQT-UHFFFAOYSA-NSynonyms
4(4HEPTYL3NITROPHENYL)2NITROBENZONITRILE
4HEPTYL33DINITROBIPHENYL4CARBONITRILE
CCCCCCCC1=C(C=C(C=C1)C2=CC(=C(C=C2)C#N)(N+)(=O)(O))(N+)(=O)(O)
CCCCCCCc1ccc(cc1(N+)(=O)(O))c1ccc(c(c1)(N+)(=O)(O))C#N
InChI=1SC20H21N3O4c1234567158916(1219(15)22(24)25)17101118(1421)20(1317)23(26)27h813H27H21H3
MFCD08050782
STK043692
ZINC000101431166
ZINC101431166
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