Vitas-M small molecule compound
N-{5-[2-(4-methoxyphenyl)ethyl]-1,3,4-thiadiazol-2-yl}-2-methyl-3-nitrobenzamide
Catalog ID
STK282423
SMILES COc1ccc(cc1)CCc1nnc(s1)NC(=O)c1cccc(c1C)[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 C19H18N4O4S MW 398.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H18N4O4S/c1-12-15(4-3-5-16(12)23(25)26)18(24)20-19-22-21-17(28-19)11-8-13-6-9-14(27-2)10-7-13/h3-7,9-10H,8,11H2,1-2H3,(H,20,22,24)InChIKey
FGVBXEYGFWVJHD-UHFFFAOYSA-NSynonyms
CC1=C(C=CC=C1(N+)(=O)(O))C(=O)NC2=NN=C(S2)CCC3=CC=C(C=C3)OC
COc1ccc(cc1)CCc1nnc(s1)NC(=O)c1cccc(c1C)(N+)(=O)(O)
InChI=1SC19H18N4O4Sc11215(43516(12)23(25)26)18(24)2019222117(2819)118136914(272)10713h37910H811H212H3(H202224)
MFCD07150331
N(5(2(4methoxyphenyl)ethyl)134thiadiazol2yl)2methyl3nitrobenzamide
ZINC000009196687
ZINC09196687
ZINC9196687
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