Vitas-M small molecule compound
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(4-methoxyphenyl)quinoline-4-carboxamide
Catalog ID
STK429928
SMILES COc1ccc(cc1)c1nc2ccccc2c(c1)C(=O)Nc1sc2c(c1C#N)CCCCC2
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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 C27H23N3O2S MW 453.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H23N3O2S/c1-32-18-13-11-17(12-14-18)24-15-21(19-7-5-6-9-23(19)29-24)26(31)30-27-22(16-28)20-8-3-2-4-10-25(20)33-27/h5-7,9,11-15H,2-4,8,10H2,1H3,(H,30,31)InChIKey
ABGAILKVTMIJBV-UHFFFAOYSA-NSynonyms
COC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(C5=C(S4)CCCCC5)C#N
InChI=1SC27H23N3O2Sc13218131117(121418)241521(19756923(19)2924)26(31)302722(1628)2083241025(20)3327h5791115H24810H21H3(H3031)
MFCD01356190
N(3CYANO4H5H6H7H8HCYCLOHEPTA(B)THIOPHEN2YL)2(4METHOXYPHENYL)QUINOLINE4CARBOXAMIDE
N(3cyano5678tetrahydro4Hcyclohepta(b)thiophen2yl)2(4methoxyphenyl)quinoline4carboxamide
ZINC000002083710
ZINC02083710
ZINC2083710
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