Vitas-M small molecule compound
2-{[(1E)-3-oxo-3-(tricyclo[3.3.1.1~3,7~]dec-1-yl)prop-1-en-1-yl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Catalog ID
STL177305
SMILES N#Cc1c(N/C=C/C(=O)C23CC4CC(C3)CC(C2)C4)sc2c1CCCC2
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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 C22H26N2OS MW 366.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H26N2OS/c23-13-18-17-3-1-2-4-19(17)26-21(18)24-6-5-20(25)22-10-14-7-15(11-22)9-16(8-14)12-22/h5-6,14-16,24H,1-4,7-12H2/b6-5+InChIKey
GTOXXISFHVKVSQ-AATRIKPKSA-NSynonyms
828275-31-62(((1E)3oxo3(tricyclo(3311~37~)dec1yl)prop1en1yl)amino)4567tetrahydro1benzothiophene3carbonitrile
2(((E)3(1adamantyl)3oxoprop1enyl)amino)4567tetrahydro1benzothiophene3carbonitrile
828275316
C1CCC2=C(C1)C(=C(S2)NC=CC(=O)C34CC5CC(C3)CC(C5)C4)C#N
InChI=1SC22H26N2OSc23131817312419(17)2621(18)246520(25)221014715(1122)916(814)1222h56141624H14712H2b65+
N#Cc1c(NC=CC(=O)C23CC4CC(C3)CC(C2)C4)sc2c1CCCC2
ZINC000006317399
ZINC06317399
ZINC6317399
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