Vitas-M small molecule compound
N-{5-[(2-methoxy-5-nitrobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-3-methylbenzamide
Catalog ID
STK232969
SMILES COc1ccc(cc1CSc1nnc(s1)NC(=O)c1cccc(c1)C)[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 C18H16N4O4S2 MW 416.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16N4O4S2/c1-11-4-3-5-12(8-11)16(23)19-17-20-21-18(28-17)27-10-13-9-14(22(24)25)6-7-15(13)26-2/h3-9H,10H2,1-2H3,(H,19,20,23)InChIKey
XUCMHKLQTQRSSU-UHFFFAOYSA-NSynonyms
CC1=CC=CC(=C1)C(=O)NC2=NN=C(S2)SCC3=C(C=CC(=C3)(N+)(=O)(O))OC
COc1ccc(cc1CSc1nnc(s1)NC(=O)c1cccc(c1)C)(N+)(=O)(O)
InChI=1SC18H16N4O4S2c11143512(811)16(23)1917202118(2817)271013914(22(24)25)6715(13)262h39H10H212H3(H192023)
MFCD03996232
N(5((2METHOXY5NITROBENZYL)SULFANYL)134THIADIAZOL2YL)3METHYLBENZAMIDE
N(5((2METHOXY5NITROPHENYL)METHYLSULFANYL)134THIADIAZOL2YL)3METHYLBENZAMIDE
ZINC000002837005
ZINC02837005
ZINC2837005
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