Vitas-M small molecule compound
1-(2-chloro-5-nitrophenyl)-2-{[5-(3,4-dimethoxybenzyl)-1,3,4-oxadiazol-2-yl]sulfanyl}ethanone
Catalog ID
STK264085
SMILES COc1cc(ccc1OC)Cc1nnc(o1)SCC(=O)c1cc(ccc1Cl)[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 C19H16ClN3O6S MW 449.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H16ClN3O6S/c1-27-16-6-3-11(7-17(16)28-2)8-18-21-22-19(29-18)30-10-15(24)13-9-12(23(25)26)4-5-14(13)20/h3-7,9H,8,10H2,1-2H3InChIKey
QBIHIVZDLRNBGK-UHFFFAOYSA-NSynonyms
1(2chloro5nitrophenyl)2((5((34dimethoxyphenyl)methyl)134oxadiazol2yl)sulfanyl)ethanone
1(2CHLORO5NITROPHENYL)2((5(34DIMETHOXYBENZYL)134OXADIAZOL2YL)SULFANYL)ETHANONE
COC1=C(C=C(C=C1)CC2=NN=C(O2)SCC(=O)C3=C(C=CC(=C3)(N+)(=O)(O))Cl)OC
COc1cc(ccc1OC)Cc1nnc(o1)SCC(=O)c1cc(ccc1Cl)(N+)(=O)(O)
InChI=1SC19H16ClN3O6Sc127166311(717(16)282)818212219(2918)301015(24)13912(23(25)26)4514(13)20h379H810H212H3
MFCD08672589
ZINC000009489321
ZINC09489321
ZINC9489321
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