Vitas-M small molecule compound
2-chloro-N-[5-(4-methoxybenzyl)-1,3,4-thiadiazol-2-yl]-4-nitrobenzamide
Catalog ID
STK008952
SMILES COc1ccc(cc1)Cc1nnc(s1)NC(=O)c1ccc(cc1Cl)[N+](=O)[O-]
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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 C17H13ClN4O4S MW 404.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H13ClN4O4S/c1-26-12-5-2-10(3-6-12)8-15-20-21-17(27-15)19-16(23)13-7-4-11(22(24)25)9-14(13)18/h2-7,9H,8H2,1H3,(H,19,21,23)InChIKey
LFCOBSXYYWDBOY-UHFFFAOYSA-NSynonyms
590398-53-1(2CHLORO4NITROPHENYL)N(5((4METHOXYPHENYL)METHYL)(134THIADIAZOL2YL))CARBOXAMIDE
2CHLORON(5((4METHOXYPHENYL)METHYL)134THIADIAZOL2YL)4NITROBENZAMIDE
2CHLORON(5(4METHOXYBENZYL)134THIADIAZOL2YL)4NITROBENZAMIDE
590398531
COC1=CC=C(C=C1)CC2=NN=C(S2)NC(=O)C3=C(C=C(C=C3)(N+)(=O)(O))Cl
COc1ccc(cc1)Cc1nnc(s1)NC(=O)c1ccc(cc1Cl)(N+)(=O)(O)
InChI=1SC17H13ClN4O4Sc126125210(3612)815202117(2715)1916(23)137411(22(24)25)914(13)18h279H8H21H3(H192123)
MFCD03351651
STK008952
ZINC000001146407
ZINC01146407
ZINC1146407
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