Vitas-M small molecule compound
2-{[(E)-(3-iodo-4,5-dimethoxyphenyl)methylidene]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Catalog ID
STK198244
SMILES COc1cc(/C=N/c2sc3c(c2C#N)CCCC3)cc(c1OC)I
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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 C18H17IN2O2S MW 452.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17IN2O2S/c1-22-15-8-11(7-14(19)17(15)23-2)10-21-18-13(9-20)12-5-3-4-6-16(12)24-18/h7-8,10H,3-6H2,1-2H3/b21-10+InChIKey
BOWZEXKQVKUKJW-UFFVCSGVSA-NSynonyms
2(((E)(3iodo45dimethoxyphenyl)methylidene)amino)4567tetrahydro1benzothiophene3carbonitrile
2((E)(3iodo45dimethoxyphenyl)methylideneamino)4567tetrahydro1benzothiophene3carbonitrile
COC1=C(C(=CC(=C1)C=NC2=C(C3=C(S2)CCCC3)C#N)I)OC
COc1cc(C=Nc2sc3c(c2C#N)CCCC3)cc(c1OC)I
InChI=1SC18H17IN2O2Sc12215811(714(19)17(15)232)10211813(920)12534616(12)2418h7810H36H212H3b2110+
MFCD02272420
ZINC000009934546
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