Vitas-M small molecule compound
(2Z)-2-(1,3-benzothiazol-2-yl)-3-(1-ethyl-5-methyl-1H-pyrazol-4-yl)prop-2-enenitrile
Catalog ID
STL401796
SMILES N#C/C(=C/c1cnn(c1C)CC)/c1nc2c(s1)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 C16H14N4S MW 294.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H14N4S/c1-3-20-11(2)13(10-18-20)8-12(9-17)16-19-14-6-4-5-7-15(14)21-16/h4-8,10H,3H2,1-2H3/b12-8-InChIKey
HOMYKNQNWFFANN-WQLSENKSSA-NSynonyms
(2Z)2(13benzothiazol2yl)3(1ethyl5methyl1Hpyrazol4yl)prop2enenitrile
(Z)2(13benzothiazol2yl)3(1ethyl5methylpyrazol4yl)prop2enenitrile
CCN1C(=C(C=N1)C=C(C#N)C2=NC3=CC=CC=C3S2)C
InChI=1SC16H14N4Sc132011(2)13(101820)812(917)161914645715(14)2116h4810H3H212H3b128
MFCD28952606
N#CC(=Cc1cnn(c1C)CC)c1nc2c(s1)cccc2
ZINC000035677761
ZINC35677761
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