Vitas-M small molecule compound
2-(1,3-benzodioxol-5-yl)-N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)quinoline-4-carboxamide
Catalog ID
STK462398
SMILES N#Cc1c(sc2c1CCCCC2)NC(=O)c1cc(nc2c1cccc2)c1ccc2c(c1)OCO2
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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 C27H21N3O3S MW 467.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H21N3O3S/c28-14-20-18-7-2-1-3-9-25(18)34-27(20)30-26(31)19-13-22(29-21-8-5-4-6-17(19)21)16-10-11-23-24(12-16)33-15-32-23/h4-6,8,10-13H,1-3,7,9,15H2,(H,30,31)InChIKey
BQYXDBIVJRZAHL-UHFFFAOYSA-NSynonyms
2(13benzodioxol5yl)N(3cyano5678tetrahydro4Hcyclohepta(b)thiophen2yl)quinoline4carboxamide
C1CCC2=C(CC1)SC(=C2C#N)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC6=C(C=C5)OCO6
InChI=1SC27H21N3O3Sc281420187213925(18)3427(20)3026(31)191322(2921854617(19)21)1610112324(1216)33153223h4681013H137915H2(H3031)
MFCD03391720
ZINC000020533859
ZINC20533859
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