Vitas-M small molecule compound

N-[5-(4-methoxybenzyl)-1,3,4-thiadiazol-2-yl]-2-(2-nitrophenyl)acetamide

Catalog ID
STK098520
SMILES COc1ccc(cc1)Cc1nnc(s1)NC(=O)Cc1ccccc1[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 C18H16N4O4S MW 384.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16N4O4S/c1-26-14-8-6-12(7-9-14)10-17-20-21-18(27-17)19-16(23)11-13-4-2-3-5-15(13)22(24)25/h2-9H,10-11H2,1H3,(H,19,21,23)
InChIKey
YIPTUVJITWDBHA-UHFFFAOYSA-N
Synonyms
590399-05-6
590399056
COC1=CC=C(C=C1)CC2=NN=C(S2)NC(=O)CC3=CC=CC=C3(N+)(=O)(O)
COc1ccc(cc1)Cc1nnc(s1)NC(=O)Cc1ccccc1(N+)(=O)(O)
InChI=1SC18H16N4O4Sc126148612(7914)1017202118(2717)1916(23)1113423515(13)22(24)25h29H1011H21H3(H192123)
MFCD03351873
N(5((4METHOXYPHENYL)METHYL)(134THIADIAZOL2YL))2(2NITROPHENYL)ACETAMIDE
N(5((4METHOXYPHENYL)METHYL)134THIADIAZOL2YL)2(2NITROPHENYL)ACETAMIDE
N(5(4METHOXYBENZYL)134THIADIAZOL2YL)2(2NITROPHENYL)ACETAMIDE
STK098520
ZINC000001142657
ZINC01142657
ZINC1142657

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.