Vitas-M small molecule compound
4-{(E)-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)imino]methyl}-2-methoxyphenyl acetate
Catalog ID
STK755755
SMILES COc1cc(ccc1OC(=O)C)/C=N/c1sc2c(c1C#N)CCCC2
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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 C19H18N2O3S MW 354.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H18N2O3S/c1-12(22)24-16-8-7-13(9-17(16)23-2)11-21-19-15(10-20)14-5-3-4-6-18(14)25-19/h7-9,11H,3-6H2,1-2H3/b21-11+InChIKey
KYYPZVHXHQPXLD-SRZZPIQSSA-NSynonyms
311774-02-4(4((E)(3cyano4567tetrahydro1benzothiophen2yl)iminomethyl)2methoxyphenyl)acetate
311774024
4((E)((3cyano4567tetrahydro1benzothiophen2yl)imino)methyl)2methoxyphenylacetate
CC(=O)OC1=C(C=C(C=C1)C=NC2=C(C3=C(S2)CCCC3)C#N)OC
COc1cc(ccc1OC(=O)C)C=Nc1sc2c(c1C#N)CCCC2
InChI=1SC19H18N2O3Sc112(22)24168713(917(16)232)11211915(1020)14534618(14)2519h7911H36H212H3b2111+
MFCD00660203
ZINC000003045042
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