Vitas-M small molecule compound
(2Z)-2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1(2H)-ylidene)-1-(5-nitrothiophen-2-yl)ethanone
Catalog ID
STK593373
SMILES COc1cc2/C(=C/C(=O)c3ccc(s3)[N+](=O)[O-])/NCCc2cc1OC
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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 C17H16N2O5S MW 360.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H16N2O5S/c1-23-14-7-10-5-6-18-12(11(10)8-15(14)24-2)9-13(20)16-3-4-17(25-16)19(21)22/h3-4,7-9,18H,5-6H2,1-2H3/b12-9-InChIKey
NMPVQISASVCJLO-XFXZXTDPSA-NSynonyms
883956-59-0(2Z)2(67DIMETHOXY34DIHYDRO2HISOQUINOLIN1YLIDENE)1(5NITROTHIOPHEN2YL)ETHANONE
(2Z)2(67dimethoxy34dihydroisoquinolin1(2H)ylidene)1(5nitrothiophen2yl)ethanone
(Z)2(67dimethoxy34dihydroisoquinolin1(2H)ylidene)1(5nitrothiophen2yl)ethanone
883956590
COC1=C(C=C2C(=C1)CCNC2=CC(=O)C3=CC=C(S3)(N+)(=O)(O))OC
COc1cc2C(=CC(=O)c3ccc(s3)(N+)(=O)(O))NCCc2cc1OC
InChI=1SC17H16N2O5Sc12314710561812(11(10)815(14)242)913(20)163417(2516)19(21)22h347918H56H212H3b129
MFCD06781554
ZINC000005322596
ZINC05322596
ZINC5322596
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