Vitas-M small molecule compound
1-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]ethanone
Catalog ID
STK599532
SMILES COc1cc2CN(CCc2cc1OC)C(=O)CSc1nc2c(s1)cc(cc2)[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 C20H19N3O5S2 MW 445.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19N3O5S2/c1-27-16-7-12-5-6-22(10-13(12)8-17(16)28-2)19(24)11-29-20-21-15-4-3-14(23(25)26)9-18(15)30-20/h3-4,7-9H,5-6,10-11H2,1-2H3InChIKey
TWRYVSSUCPUKDF-UHFFFAOYSA-NSynonyms
879465-20-01(67DIMETHOXY34DIHYDRO1HISOQUINOLIN2YL)2((6NITRO13BENZOTHIAZOL2YL)SULFANYL)ETHANONE
1(67dimethoxy34dihydroisoquinolin2(1H)yl)2((6nitro13benzothiazol2yl)sulfanyl)ethanone
1(67dimethoxy34dihydroisoquinolin2(1H)yl)2((6nitrobenzo(d)thiazol2yl)thio)ethanone
879465200
COC1=C(C=C2CN(CCC2=C1)C(=O)CSC3=NC4=C(S3)C=C(C=C4)(N+)(=O)(O))OC
COc1cc2CN(CCc2cc1OC)C(=O)CSc1nc2c(s1)cc(cc2)(N+)(=O)(O)
InChI=1SC20H19N3O5S2c127167125622(1013(12)817(16)282)19(24)11292021154314(23(25)26)918(15)3020h3479H561011H212H3
MFCD03608733
ZINC000009331992
ZINC09331992
ZINC9331992
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