Vitas-M small molecule compound
N-(2-butyl-2H-tetrazol-5-yl)-4-ethoxy-N-[(4-ethoxy-3-nitrophenyl)carbonyl]-3-nitrobenzamide
Catalog ID
STK355504
SMILES CCCCn1nnc(n1)N(C(=O)c1ccc(c(c1)[N+](=O)[O-])OCC)C(=O)c1ccc(c(c1)[N+](=O)[O-])OCC
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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 C23H25N7O8 MW 527.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H25N7O8/c1-4-7-12-27-25-23(24-26-27)28(21(31)15-8-10-19(37-5-2)17(13-15)29(33)34)22(32)16-9-11-20(38-6-3)18(14-16)30(35)36/h8-11,13-14H,4-7,12H2,1-3H3InChIKey
ZUJCVYPHXFBOMG-UHFFFAOYSA-NSynonyms
CCCCN1N=C(N=N1)N(C(=O)C2=CC(=C(C=C2)OCC)(N+)(=O)(O))C(=O)C3=CC(=C(C=C3)OCC)(N+)(=O)(O)
CCCCn1nnc(n1)N(C(=O)c1ccc(c(c1)(N+)(=O)(O))OCC)C(=O)c1ccc(c(c1)(N+)(=O)(O))OCC
InChI=1SC23H25N7O8c14712272523(242627)28(21(31)1581019(3752)17(1315)29(33)34)22(32)1691120(3863)18(1416)30(35)36h8111314H4712H213H3
MFCD06759194
N(2butyl2Htetrazol5yl)4ethoxyN((4ethoxy3nitrophenyl)carbonyl)3nitrobenzamide
N(2butyltetrazol5yl)4ethoxyN(4ethoxy3nitrobenzoyl)3nitrobenzamide
ZINC000100404968
ZINC100404968
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