Vitas-M small molecule compound
4-({[4-oxo-3-(prop-2-en-1-yl)-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}methyl)benzonitrile
Catalog ID
STL340441
SMILES C=CCn1c(SCc2ccc(cc2)C#N)nc2c(c1=O)c1CCCCc1s2
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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 C21H19N3OS2 MW 393.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19N3OS2/c1-2-11-24-20(25)18-16-5-3-4-6-17(16)27-19(18)23-21(24)26-13-15-9-7-14(12-22)8-10-15/h2,7-10H,1,3-6,11,13H2InChIKey
NNWVJJMZCZWBIY-UHFFFAOYSA-NSynonyms
561027-95-04(((3allyl4oxo345678hexahydrobenzo(45)thieno(23d)pyrimidin2yl)thio)methyl)benzonitrile
4(((4oxo3(prop2en1yl)345678hexahydro(1)benzothieno(23d)pyrimidin2yl)sulfanyl)methyl)benzonitrile
4((4oxo3prop2enyl5678tetrahydro(1)benzothiolo(23d)pyrimidin2yl)sulfanylmethyl)benzonitrile
561027950
C=CCN1C(=O)C2=C(N=C1SCC3=CC=C(C=C3)C#N)SC4=C2CCCC4
InChI=1SC21H19N3OS2c12112420(25)1816534617(16)2719(18)2321(24)2613159714(1222)81015h2710H1361113H2
MFCD04019607
ZINC000002195052
ZINC02195052
ZINC2195052
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