Vitas-M small molecule compound
methyl {[(7E)-7-benzylidene-3-cyano-4-(thiophen-3-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]sulfanyl}acetate
Catalog ID
STL112898
SMILES COC(=O)CSc1nc2/C(=C/c3ccccc3)/CCc2c(c1C#N)c1cscc1
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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 C23H18N2O2S2 MW 418.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H18N2O2S2/c1-27-20(26)14-29-23-19(12-24)21(17-9-10-28-13-17)18-8-7-16(22(18)25-23)11-15-5-3-2-4-6-15/h2-6,9-11,13H,7-8,14H2,1H3/b16-11+InChIKey
MHEQGAVLXWPTGB-LFIBNONCSA-NSynonyms
402953-84-8402953848
COC(=O)CSC1=NC2=C(CCC2=CC3=CC=CC=C3)C(=C1C#N)C4=CSC=C4
COC(=O)CSc1nc2C(=Cc3ccccc3)CCc2c(c1C#N)c1cscc1
InChI=1SC23H18N2O2S2c12720(26)14292319(1224)21(17910281317)188716(22(18)2523)11155324615h2691113H7814H21H3b1611+
methyl(((7E)7benzylidene3cyano4(thiophen3yl)67dihydro5Hcyclopenta(b)pyridin2yl)sulfanyl)acetate
METHYL2(((7E)7BENZYLIDENE3CYANO4THIOPHEN3YL56DIHYDROCYCLOPENTA(B)PYRIDIN2YL)SULFANYL)ACETATE
MFCD03059027
ZINC000009434270
ZINC09434270
ZINC9434270
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