Vitas-M small molecule compound
(2E)-3-(3,4-dimethoxyphenyl)-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)prop-2-enenitrile
Catalog ID
STK832404
SMILES N#C/C(=C\c1ccc(c(c1)OC)OC)/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 C18H18N2O2S MW 326.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H18N2O2S/c1-21-15-8-7-12(10-16(15)22-2)9-13(11-19)18-20-14-5-3-4-6-17(14)23-18/h7-10H,3-6H2,1-2H3/b13-9+InChIKey
CQIFHVOKXNVZLQ-UKTHLTGXSA-NSynonyms
(2E)3(34dimethoxyphenyl)2(4567tetrahydro13benzothiazol2yl)prop2enenitrile
(E)3(34dimethoxyphenyl)2(4567tetrahydro13benzothiazol2yl)prop2enenitrile
COC1=C(C=C(C=C1)C=C(C#N)C2=NC3=C(S2)CCCC3)OC
InChI=1SC18H18N2O2Sc121158712(1016(15)222)913(1119)182014534617(14)2318h710H36H212H3b139+
MFCD01892356
ZINC000005445826
ZINC05445826
ZINC5445826
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