Vitas-M small molecule compound
N-(5-{[(2-fluorobenzyl)sulfanyl]methyl}-1,3,4-thiadiazol-2-yl)-3-nitrobenzamide
Catalog ID
STK046929
SMILES O=C(c1cccc(c1)[N+](=O)[O-])Nc1nnc(s1)CSCc1ccccc1F
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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 C17H13FN4O3S2 MW 404.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H13FN4O3S2/c18-14-7-2-1-4-12(14)9-26-10-15-20-21-17(27-15)19-16(23)11-5-3-6-13(8-11)22(24)25/h1-8H,9-10H2,(H,19,21,23)InChIKey
KRMBRWLKZYYEDS-UHFFFAOYSA-NSynonyms
C1=CC=C(C(=C1)CSCC2=NN=C(S2)NC(=O)C3=CC(=CC=C3)(N+)(=O)(O))F
InChI=1SC17H13FN4O3S2c1814721412(14)9261015202117(2715)1916(23)1153613(811)22(24)25h18H910H2(H192123)
MFCD02033057
N(5(((2FLUOROBENZYL)SULFANYL)METHYL)134THIADIAZOL2YL)3NITROBENZAMIDE
N(5(((2FLUOROBENZYL)THIO)METHYL)134THIADIAZOL2YL)3NITROBENZAMIDE
N(5((2FLUOROPHENYL)METHYLSULFANYLMETHYL)134THIADIAZOL2YL)3NITROBENZAMIDE
O=C(c1cccc(c1)(N+)(=O)(O))Nc1nnc(s1)CSCc1ccccc1F
STK046929
ZINC000005200652
ZINC05200652
ZINC5200652
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