Vitas-M small molecule compound

N-(2,1,3-benzothiadiazol-4-yl)-2-{[5-(4-methoxybenzyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetamide

Catalog ID
STK278583
SMILES COc1ccc(cc1)Cc1nnc(o1)SCC(=O)Nc1cccc2c1nsn2

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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 C18H15N5O3S2 MW 413.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H15N5O3S2/c1-25-12-7-5-11(6-8-12)9-16-20-21-18(26-16)27-10-15(24)19-13-3-2-4-14-17(13)23-28-22-14/h2-8H,9-10H2,1H3,(H,19,24)
InChIKey
SZTAYQXMAKMULY-UHFFFAOYSA-N
Synonyms

COC1=CC=C(C=C1)CC2=NN=C(O2)SCC(=O)NC3=CC=CC4=NSN=C43
InChI=1SC18H15N5O3S2c125127511(6812)916202118(2616)271015(24)19133241417(13)23282214h28H910H21H3(H1924)
MFCD09269376
N(213benzothiadiazol4yl)2((5((4methoxyphenyl)methyl)134oxadiazol2yl)sulfanyl)acetamide
N(213benzothiadiazol4yl)2((5(4methoxybenzyl)134oxadiazol2yl)sulfanyl)acetamide
ZINC000008333483
ZINC08333483
ZINC8333483

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Available files

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