Vitas-M small molecule compound
N-[(2E)-5-(butylsulfonyl)-1,3,4-thiadiazol-2(3H)-ylidene]-4-nitrobenzamide
Catalog ID
STK615844
SMILES CCCCS(=O)(=O)c1n[nH]/c(=N\C(=O)c2ccc(cc2)[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 C13H14N4O5S2 MW 370.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H14N4O5S2/c1-2-3-8-24(21,22)13-16-15-12(23-13)14-11(18)9-4-6-10(7-5-9)17(19)20/h4-7H,2-3,8H2,1H3,(H,14,15,18)InChIKey
KZBRIBCVZCYWFE-UHFFFAOYSA-NSynonyms
898506-03-1898506031
CCCCS(=O)(=O)C1=NN=C(S1)NC(=O)C2=CC=C(C=C2)(N+)(=O)(O)
CCCCS(=O)(=O)c1n(nH)c(=NC(=O)c2ccc(cc2)(N+)(=O)(O))s1
InChI=1SC13H14N4O5S2c123824(2122)13161512(2313)1411(18)94610(759)17(19)20h47H238H21H3(H141518)
MFCD08730326
N((2E)5(butylsulfonyl)134thiadiazol2(3H)ylidene)4nitrobenzamide
N(5(BUTYLSULFONYL)(134THIADIAZOL2YL))(4NITROPHENYL)CARBOXAMIDE
N(5butylsulfonyl134thiadiazol2yl)4nitrobenzamide
ZINC000017044912
ZINC17044912
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