Vitas-M small molecule compound
methyl 4-({[(7E)-3-cyano-4-(thiophen-2-yl)-7-(thiophen-2-ylmethylidene)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]sulfanyl}methyl)benzoate
Catalog ID
STK832346
SMILES COC(=O)c1ccc(cc1)CSc1nc2/C(=C/c3cccs3)/CCc2c(c1C#N)c1cccs1
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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 C27H20N2O2S3 MW 500.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H20N2O2S3/c1-31-27(30)18-8-6-17(7-9-18)16-34-26-22(15-28)24(23-5-3-13-33-23)21-11-10-19(25(21)29-26)14-20-4-2-12-32-20/h2-9,12-14H,10-11,16H2,1H3/b19-14+InChIKey
MEXUWXJKDFAHPH-XMHGGMMESA-NSynonyms
COC(=O)C1=CC=C(C=C1)CSC2=NC3=C(CCC3=CC4=CC=CS4)C(=C2C#N)C5=CC=CS5
COC(=O)c1ccc(cc1)CSc1nc2C(=Cc3cccs3)CCc2c(c1C#N)c1cccs1
InChI=1SC27H20N2O2S3c13127(30)188617(7918)16342622(1528)24(2353133323)21111019(25(21)2926)142042123220h291214H101116H21H3b1914+
methyl4((((7E)3cyano4(thiophen2yl)7(thiophen2ylmethylidene)67dihydro5Hcyclopenta(b)pyridin2yl)sulfanyl)methyl)benzoate
METHYL4(((7E)3CYANO4THIOPHEN2YL7(THIOPHEN2YLMETHYLIDENE)56DIHYDROCYCLOPENTA(B)PYRIDIN2YL)SULFANYLMETHYL)BENZOATE
MFCD02647589
ZINC000012062433
ZINC12062433
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