Vitas-M small molecule compound
N-[(2E)-5-ethyl-1,3,4-thiadiazol-2(3H)-ylidene]-3,5-dinitrobenzamide
Catalog ID
STK851656
SMILES CCc1n[nH]/c(=N\C(=O)c2cc(cc(c2)[N+](=O)[O-])[N+](=O)[O-])/s1
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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 C11H9N5O5S MW 323.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C11H9N5O5S/c1-2-9-13-14-11(22-9)12-10(17)6-3-7(15(18)19)5-8(4-6)16(20)21/h3-5H,2H2,1H3,(H,12,14,17)InChIKey
WBQDVQQZPHVTLG-UHFFFAOYSA-NSynonyms
313251-97-7313251977
CCC1=NN=C(S1)NC(=O)C2=CC(=CC(=C2)(N+)(=O)(O))(N+)(=O)(O)
CCc1n(nH)c(=NC(=O)c2cc(cc(c2)(N+)(=O)(O))(N+)(=O)(O))s1
InChI=1SC11H9N5O5Sc129131411(229)1210(17)637(15(18)19)58(46)16(20)21h35H2H21H3(H121417)
MFCD07198888
N((2E)5ethyl134thiadiazol2(3H)ylidene)35dinitrobenzamide
N(5ETHYL134THIADIAZOL2YL)35DINITROBENZAMIDE
ZINC000016956900
ZINC16956900
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